2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide

C17H18ClNO2 — CID 38839315

IUPAC2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1Cl)c1ccccc1OC
InChIInChI=1S/C17H18ClNO2/c1-3-15(13-9-5-7-11-16(13)21-2)19-17(20)12-8-4-6-10-14(12)18/h4-11,15H,3H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyVUVLMKGCBJPVSJ-HNNXBMFYSA-N
MW303.79 g/mol
LogP4.23
Rot. Bonds5

About 2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide

2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide (PubChem CID 38839315) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide
PubChem CID38839315
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1Cl)c1ccccc1OC
InChIInChI=1S/C17H18ClNO2/c1-3-15(13-9-5-7-11-16(13)21-2)19-17(20)12-8-4-6-10-14(12)18/h4-11,15H,3H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyVUVLMKGCBJPVSJ-HNNXBMFYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]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-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide
CID 66484685
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
N-[(1R)-1-(2-methoxyphenyl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976267
2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577
2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide
CID 171987202
2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 144901028
(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
CID 103928736
4-[1-(2-methoxyphenyl)propylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992983
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
N-butan-2-yl-2-methoxybenzamide
CID 3117660
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide (CID 38839315) is 2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide is CC[C@H](NC(=O)c1ccccc1Cl)c1ccccc1OC.
What is the InChIKey of 2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide?
The InChIKey is VUVLMKGCBJPVSJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-15(13-9-5-7-11-16(13)21-2)19-17(20)12-8-4-6-10-14(12)18/h4-11,15H,3H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide?
2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide has a molecular weight of 303.79 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 38839315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).