3-Amino-1-chloro-4-phenylbutan-2-one

HCID 1640
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Basic information

Standard SMILES
NC(Cc1ccccc1)C(=O)CCl
InChIKey
CNNSBPMDYXZFTQ-UHFFFAOYSA-N
Molecular formula
C10H12ClNO
Average molar mass
197.66 g/mol
Monoisotopic mass
197.0607417

Names & identifiers

Preferred name
3-Amino-1-chloro-4-phenylbutan-2-one
IUPAC
3-amino-1-chloro-4-phenylbutan-2-one

Names & synonyms

3-amino-1-chloro-4-phenylbutan-2-one25487-45-03-Amino-1-chloro-4-phenyl-2-butanoneBoc-D-phe chloromethylketoneBoc-D-Phe chloromethyl ketoneSCHEMBL996112CHEMBL3247879CNNSBPMDYXZFTQ-UHFFFAOYSA-N

Database identifiers

PubChem CID
1640
ChEMBL
CHEMBL3247879

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13

Related reactions

4 records
New reaction record

Linked notes

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