4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide

C11H15ClN2O2 — CID 93081059

IUPAC4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-2-8(6-15)14-11(16)9-4-3-7(13)5-10(9)12/h3-5,8,15H,2,6,13H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyDAVHVEAQTAEZDS-QMMMGPOBSA-N
MW242.71 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide

4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide (PubChem CID 93081059) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
PubChem CID93081059
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-2-8(6-15)14-11(16)9-4-3-7(13)5-10(9)12/h3-5,8,15H,2,6,13H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyDAVHVEAQTAEZDS-QMMMGPOBSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide
CID 107211238
5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 107211516
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
CID 65193733
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
CID 107211217
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113266180
2-chloro-N-(1-hydroxypentan-3-yl)-4-methylbenzamide
CID 106509851
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 107211525
4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
CID 119786700

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide (CID 93081059) is 4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide is CC[C@@H](CO)NC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is DAVHVEAQTAEZDS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-8(6-15)14-11(16)9-4-3-7(13)5-10(9)12/h3-5,8,15H,2,6,13H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of 4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 242.71 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 93081059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).