N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide

C17H17ClN2O2 — CID 22137650

IUPACN-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccccc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-16(21)20-15-6-4-3-5-14(15)17(22)19-11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyKZMZJVJIOAAZRQ-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.62
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide

N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide (PubChem CID 22137650) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide
PubChem CID22137650
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccccc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-16(21)20-15-6-4-3-5-14(15)17(22)19-11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyKZMZJVJIOAAZRQ-UHFFFAOYSA-N
XLogP3.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-2-(propanoylamino)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-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide
CID 24676607
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 23913368
ethyl 2-[[3-[(4-chlorophenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946830
2-[[2-[(5-chloro-2-pyridinyl)sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112815625
[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate
CID 9015181
N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide
CID 2421246
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 17319950
methyl 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 108507696
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
N-[2-(benzylcarbamoyl)phenyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45013822

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide (CID 22137650) is N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide is CCC(=O)Nc1ccccc1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide?
The InChIKey is KZMZJVJIOAAZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-2-16(21)20-15-6-4-3-5-14(15)17(22)19-11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide?
N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide is sourced from PubChem (CID 22137650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).