N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide

C24H23ClN2O2 — CID 46612416

IUPACN-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23ClN2O2/c1-27(17-18-9-8-14-21(25)15-18)23(28)16-22(19-10-4-2-5-11-19)26-24(29)20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,26,29)
InChIKeyXYPARXNMTIKZHK-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.86
Rot. Bonds7

About N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 46612416) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID46612416
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC NameN-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23ClN2O2/c1-27(17-18-9-8-14-21(25)15-18)23(28)16-22(19-10-4-2-5-11-19)26-24(29)20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,26,29)
InChIKeyXYPARXNMTIKZHK-UHFFFAOYSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]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

N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 51266478
N-[3-[butyl(methyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 78796197
(3S)-3-acetamido-N-[(3-chlorophenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 99865964
4-[(3-benzamido-3-phenylpropanoyl)-methylamino]butanoic acid
CID 119173149
2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55653915
N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 8502250
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylbutanoic acid
CID 66137180
[1-[[3-benzamido-3-(3-chlorophenyl)propanoyl]amino]-2-(4-methylphenyl)ethyl]boronic acid
CID 75307452
N-[(1R)-3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9480729

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide (CID 46612416) is N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide is CN(Cc1cccc(Cl)c1)C(=O)CC(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is XYPARXNMTIKZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-27(17-18-9-8-14-21(25)15-18)23(28)16-22(19-10-4-2-5-11-19)26-24(29)20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,26,29).
What are the key properties of N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 406.91 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 46612416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).