N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide

C17H17ClN2O2 — CID 108945203

IUPACN-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)NCc1ccccc1Cl)NCc1ccccc1
InChIInChI=1S/C17H17ClN2O2/c18-15-9-5-4-8-14(15)12-20-17(22)10-16(21)19-11-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyKIEXPXHARKMEBM-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.66
Rot. Bonds6

About N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide

N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide (PubChem CID 108945203) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
PubChem CID108945203
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)NCc1ccccc1Cl)NCc1ccccc1
InChIInChI=1S/C17H17ClN2O2/c18-15-9-5-4-8-14(15)12-20-17(22)10-16(21)19-11-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyKIEXPXHARKMEBM-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'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 619799
N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide
CID 17179143
N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54843826
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-benzyl-3-[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111175520
N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide
CID 108946674
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
1-benzyl-3-[(2-chlorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 110953529
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide?
The IUPAC name of N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide (CID 108945203) is N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide.
What is the SMILES notation for N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide?
The canonical SMILES for N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide is O=C(CC(=O)NCc1ccccc1Cl)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide?
The InChIKey is KIEXPXHARKMEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-15-9-5-4-8-14(15)12-20-17(22)10-16(21)19-11-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide?
N-benzyl-N'-[(2-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'-[(2-chlorophenyl)methyl]propanediamide is sourced from PubChem (CID 108945203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).