3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide

C16H17ClN2O — CID 115930534

IUPAC3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C16H17ClN2O/c1-11(10-12-6-3-2-4-7-12)19-16(20)13-8-5-9-14(18)15(13)17/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyJXMHZQBORAQHKR-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.28
Rot. Bonds4

About 3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide

3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide (PubChem CID 115930534) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide
PubChem CID115930534
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C16H17ClN2O/c1-11(10-12-6-3-2-4-7-12)19-16(20)13-8-5-9-14(18)15(13)17/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyJXMHZQBORAQHKR-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-2-chloro-N-(1-phenylpropan-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

3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 112575891
2-chloro-N-(1-phenylpropan-2-yl)-5-sulfanylbenzamide
CID 107029219
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 115540229
3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 115930153
3-amino-2-chloro-N-hexan-3-ylbenzamide
CID 112575833
6-amino-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 63010622
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
CID 63010445
5-amino-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 81317136
3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
2-benzyl-3-[(2-chloro-3-methylbenzoyl)amino]butanoic acid
CID 139013520
2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide (CID 115930534) is 3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide is CC(Cc1ccccc1)NC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide?
The InChIKey is JXMHZQBORAQHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(10-12-6-3-2-4-7-12)19-16(20)13-8-5-9-14(18)15(13)17/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide?
3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 115930534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).