2-chloro-N-methyl-5-(2-phenylethylamino)benzamide

C16H17ClN2O — CID 60934816

IUPAC2-chloro-N-methyl-5-(2-phenylethylamino)benzamide
SMILESCNC(=O)c1cc(NCCc2ccccc2)ccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-18-16(20)14-11-13(7-8-15(14)17)19-10-9-12-5-3-2-4-6-12/h2-8,11,19H,9-10H2,1H3,(H,18,20)
InChIKeyXCMHUJQTJHFECI-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.35
Rot. Bonds5

About 2-chloro-N-methyl-5-(2-phenylethylamino)benzamide

2-chloro-N-methyl-5-(2-phenylethylamino)benzamide (PubChem CID 60934816) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-(2-phenylethylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-(2-phenylethylamino)benzamide
PubChem CID60934816
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-chloro-N-methyl-5-(2-phenylethylamino)benzamide
SMILESCNC(=O)c1cc(NCCc2ccccc2)ccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-18-16(20)14-11-13(7-8-15(14)17)19-10-9-12-5-3-2-4-6-12/h2-8,11,19H,9-10H2,1H3,(H,18,20)
InChIKeyXCMHUJQTJHFECI-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-methyl-5-(2-phenylethylamino)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

2-chloro-N-methyl-5-(4-methylsulfanylbutylamino)benzamide
CID 103087825
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687
2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 115951601
2-chloro-5-(2-phenylethylamino)benzonitrile
CID 43425627
2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 62134778
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
CID 60936552
2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
CID 64593149
2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
CID 66411778
1-[3-(2-phenylethylamino)phenyl]propan-2-one
CID 69386114
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-(2-phenylethylamino)benzamide?
The IUPAC name of 2-chloro-N-methyl-5-(2-phenylethylamino)benzamide (CID 60934816) is 2-chloro-N-methyl-5-(2-phenylethylamino)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-(2-phenylethylamino)benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-(2-phenylethylamino)benzamide is CNC(=O)c1cc(NCCc2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-(2-phenylethylamino)benzamide?
The InChIKey is XCMHUJQTJHFECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-18-16(20)14-11-13(7-8-15(14)17)19-10-9-12-5-3-2-4-6-12/h2-8,11,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-methyl-5-(2-phenylethylamino)benzamide?
2-chloro-N-methyl-5-(2-phenylethylamino)benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-(2-phenylethylamino)benzamide is sourced from PubChem (CID 60934816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).