N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide

C24H23ClN2O2 — CID 17179013

IUPACN-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C24H23ClN2O2/c1-27(17-18-9-3-2-4-10-18)24(29)20-12-6-8-14-22(20)26-23(28)16-15-19-11-5-7-13-21(19)25/h2-14H,15-17H2,1H3,(H,26,28)
InChIKeyGEWKTOHGMJHPKN-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.18
Rot. Bonds7

About N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide

N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide (PubChem CID 17179013) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide
PubChem CID17179013
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC NameN-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C24H23ClN2O2/c1-27(17-18-9-3-2-4-10-18)24(29)20-12-6-8-14-22(20)26-23(28)16-15-19-11-5-7-13-21(19)25/h2-14H,15-17H2,1H3,(H,26,28)
InChIKeyGEWKTOHGMJHPKN-UHFFFAOYSA-N
XLogP5.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide 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-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide
CID 17179030
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
N-benzyl-2-[(2-methoxyacetyl)amino]-N-methylbenzamide
CID 17311924
N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide
CID 17311665
N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide
CID 17312378
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 37012040
N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 4937312
N-benzyl-N-methyl-2-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26163913
N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154235
2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 110633818
N-benzyl-N-methyl-2-(propanoylcarbamothioylamino)benzamide
CID 4937547
methyl 3-[3-(2-chlorophenyl)propanoylamino]-2-hydroxybenzoate
CID 56543246

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide?
The IUPAC name of N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide (CID 17179013) is N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CCc1ccccc1Cl.
What is the InChIKey of N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide?
The InChIKey is GEWKTOHGMJHPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-27(17-18-9-3-2-4-10-18)24(29)20-12-6-8-14-22(20)26-23(28)16-15-19-11-5-7-13-21(19)25/h2-14H,15-17H2,1H3,(H,26,28).
What are the key properties of N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide?
N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide has a molecular weight of 406.91 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 17179013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).