N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide

C17H19ClN2O — CID 109018753

IUPACN-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c18-16-8-6-15(7-9-16)12-19-11-10-17(21)20-13-14-4-2-1-3-5-14/h1-9,19H,10-13H2,(H,20,21)
InChIKeyZAPJSLFDPYKCRF-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.14
Rot. Bonds7

About N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide

N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide (PubChem CID 109018753) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
PubChem CID109018753
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c18-16-8-6-15(7-9-16)12-19-11-10-17(21)20-13-14-4-2-1-3-5-14/h1-9,19H,10-13H2,(H,20,21)
InChIKeyZAPJSLFDPYKCRF-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 109021790
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591
N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide
CID 109021863
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109021640
N-benzyl-3-(3,5-dichloroanilino)propanamide
CID 109018893
3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide
CID 109016879
3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023792
3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109021889

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide?
The IUPAC name of N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide (CID 109018753) is N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide.
What is the SMILES notation for N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide?
The canonical SMILES for N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide is O=C(CCNCc1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide?
The InChIKey is ZAPJSLFDPYKCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-16-8-6-15(7-9-16)12-19-11-10-17(21)20-13-14-4-2-1-3-5-14/h1-9,19H,10-13H2,(H,20,21).
What are the key properties of N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide?
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide has a molecular weight of 302.81 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide is sourced from PubChem (CID 109018753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).