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4-amino-N-((4-benzyl-2-morpholinyl)methyl)-5-chloro-2-methoxybenzamide

HCID 197237
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
112885-23-1
Standard SMILES
COc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccccc2)CCO1
InChIKey
HLPODFYVEMCHBL-UHFFFAOYSA-N
Molecular formula
C20H24ClN3O3
Average molar mass
389.9 g/mol
Monoisotopic mass
389.1506193

Overview

structure given in first source

Names & identifiers

Preferred name
4-amino-N-((4-benzyl-2-morpholinyl)methyl)-5-chloro-2-methoxybenzamide
IUPAC
4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-methoxybenzamide
English name
4-amino-N-((4-benzyl-2-morpholinyl)methyl)-5-chloro-2-methoxybenzamide
Molecular formula
C20H24ClN3O3
Molecular weight
389.88

Names & synonyms

112885-23-14-Amino-N-((4-benzyl-2-morpholinyl)methyl)-5-chloro-2-methoxybenzamide4-Amino-N-[(4-benzyl-2-morpholinyl)methyl]-5-chloro-2-methoxybenzamideRefChem:978144-ABMMB4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-methoxybenzamideCHEMBL30982BRN 3656100HLPODFYVEMCHBL-UHFFFAOYSA-N4-Amino-5-chloro-2-methoxy-N-((4-(phenylmethyl)-2-morpholinyl)methyl)benzamideSCHEMBL1502026DTXSID10920927
Show more names
Benzamide, 4-amino-5-chloro-2-methoxy-N-[[4-(phenylmethyl)-2-morpholinyl]methyl]-
Benzamide, 4-amino-5-chloro-2-methoxy-N-((4-(phenylmethyl)-2-morpholinyl)methyl)-4-Amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-methoxybenzene-1-carboximidic acid

Database identifiers

CAS
112885-23-1

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
76.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Formal charge
0
Complexity
475

Related reactions

4 records
New reaction record
HRID 800801 reaction equation
HRID 800801As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1148185 reaction equation
HRID 1148185As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1608197 reaction equation
HRID 1608197As reactantuspto-grants-1989_09
HRID 1608202 reaction equation
HRID 1608202As reactantuspto-grants-1989_09

Compound notes

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PubChem CID
197237
DTXSID
DTXSID10920927
ChEMBL
CHEMBL30982
Nikkaji
J302.512H