N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide

C17H17ClN2O2 — CID 947860

IUPACN-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)NCc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C17H17ClN2O2/c18-15-8-6-14(7-9-15)12-20-17(22)10-16(21)19-11-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyBCCUXYKDINCFTA-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.66
Rot. Bonds6

About N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide

N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide (PubChem CID 947860) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide
PubChem CID947860
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)NCc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C17H17ClN2O2/c18-15-8-6-14(7-9-15)12-20-17(22)10-16(21)19-11-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyBCCUXYKDINCFTA-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide 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

Ambenonium
CID 2131
n,n'-Dibenzylmalonamide
CID 735256
Uamc00039
CID 11232124
Benzamide derivative 11
CID 41306362
N-(2-chlorobenzyl)butanamide
CID 885659
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
N-Benzyl-3-(4-phenyl-1,2,3,6-tetrahydropyridino)-propionamide
CID 285516
2-Chloro-N-(4-Chlorobenzyl)Acetamide
CID 265741
N1-(4-chlorobenzyl)-2-benzyl-N3-hydroxymalonamide
CID 16114883
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide?
The IUPAC name of N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide (CID 947860) is N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide.
What is the SMILES notation for N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide?
The canonical SMILES for N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide is O=C(CC(=O)NCc1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide?
The InChIKey is BCCUXYKDINCFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-15-8-6-14(7-9-15)12-20-17(22)10-16(21)19-11-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide?
N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide has a molecular weight of 316.79 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide is sourced from PubChem (CID 947860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).