Benzamide, 4-amino-5-chloro-N-(2-(cyclopropylamino)ethyl)-2-methoxy-

HCID 3079596

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 126105-15-5
Standard SMILES: COc1cc(N)c(Cl)cc1C(=O)NCCNC1CC1
InChIKey: CKZLCXNWKLGHTB-UHFFFAOYSA-N
Molecular formula: C13H18ClN3O2
Average molar mass: 283.75 g/mol
Monoisotopic mass: 283.1087545

Names & identifiers

Preferred name: Benzamide, 4-amino-5-chloro-N-(2-(cyclopropylamino)ethyl)-2-methoxy-
IUPAC: 4-amino-5-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide

Names & synonyms

Benzamide, 4-amino-5-chloro-N-(2-(cyclopropylamino)ethyl)-2-methoxy-4-Amino-5-chloro-N-(2-(cyclopropylamino)ethyl)-2-methoxybenzamideDTXSID201550814-amino-5-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamideRefChem:321661DTXCID4077572126105-15-5SCHEMBL9766461CKZLCXNWKLGHTB-UHFFFAOYSA-NZ23623615892-methoxy-4-amino-5-chloro-N-(2-(cyclopropylamino)-ethyl)-benzamide

Database identifiers

CAS: 126105-15-5
PubChem CID: 3079596
DTXSID: DTXSID20155081
Nikkaji: J551.072D

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 76.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 312

Related reactions

2 records

New reaction record

HRID 702073As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1085510As productuspto-grants-1991_04

Compound notes

Loading…