(3S)-3-amino-3-(4-chlorophenyl)propanamide

C9H11ClN2O — CID 29060060

IUPAC(3S)-3-amino-3-(4-chlorophenyl)propanamide
SMILESNC(=O)C[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H2,12,13)/t8-/m0/s1
InChIKeyHUEMYQOYOXHOJL-QMMMGPOBSA-N
MW198.65 g/mol
LogP1.22
Rot. Bonds3

About (3S)-3-amino-3-(4-chlorophenyl)propanamide

(3S)-3-amino-3-(4-chlorophenyl)propanamide (PubChem CID 29060060) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-chlorophenyl)propanamide
PubChem CID29060060
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name(3S)-3-amino-3-(4-chlorophenyl)propanamide
SMILESNC(=O)C[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H2,12,13)/t8-/m0/s1
InChIKeyHUEMYQOYOXHOJL-QMMMGPOBSA-N
XLogP1.22
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
CID 29059873
3-amino-3-(4-chlorophenyl)propanoic acid;azane
CID 175752194
ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
CID 2847356
3-amino-3-(4-chlorophenyl)-N'-methylpropanehydrazide
CID 116849632
3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
CID 122360252
3-amino-3-[4-(trifluoromethyl)phenyl]propanamide
CID 43147959
(3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide
CID 83230219
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide
CID 29059969
(3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanamide
CID 104980078
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513
3-amino-3-(4-fluoro-3-nitrophenyl)propanamide
CID 170875972

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-chlorophenyl)propanamide?
The IUPAC name of (3S)-3-amino-3-(4-chlorophenyl)propanamide (CID 29060060) is (3S)-3-amino-3-(4-chlorophenyl)propanamide.
What is the SMILES notation for (3S)-3-amino-3-(4-chlorophenyl)propanamide?
The canonical SMILES for (3S)-3-amino-3-(4-chlorophenyl)propanamide is NC(=O)C[C@H](N)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-3-amino-3-(4-chlorophenyl)propanamide?
The InChIKey is HUEMYQOYOXHOJL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H2,12,13)/t8-/m0/s1.
What are the key properties of (3S)-3-amino-3-(4-chlorophenyl)propanamide?
(3S)-3-amino-3-(4-chlorophenyl)propanamide has a molecular weight of 198.65 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(4-chlorophenyl)propanamide is sourced from PubChem (CID 29060060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).