2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide

C16H17ClN2O2 — CID 81390777

IUPAC2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C16H17ClN2O2/c1-10(12-5-3-4-6-15(12)21-2)19-16(20)13-8-7-11(17)9-14(13)18/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyZFPWLNFLGLEYJZ-JTQLQIEISA-N
MW304.78 g/mol
LogP3.42
Rot. Bonds4

About 2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide

2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 81390777) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
PubChem CID81390777
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C16H17ClN2O2/c1-10(12-5-3-4-6-15(12)21-2)19-16(20)13-8-7-11(17)9-14(13)18/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyZFPWLNFLGLEYJZ-JTQLQIEISA-N
XLogP3.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645
N-[1-(2-aminophenyl)ethyl]-5-chloro-2-methylbenzamide
CID 82880208
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
2-amino-4-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406870
4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81390616
2-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355744
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide
CID 78771753
2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 62073815
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide
CID 26907594
3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 66462846

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide (CID 81390777) is 2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1[C@H](C)NC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is ZFPWLNFLGLEYJZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10(12-5-3-4-6-15(12)21-2)19-16(20)13-8-7-11(17)9-14(13)18/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of 2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 81390777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).