N-benzyl-2-(4-chloroanilino)-N-methylpropanamide

C17H19ClN2O — CID 78786179

IUPACN-benzyl-2-(4-chloroanilino)-N-methylpropanamide
SMILESCC(Nc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13(19-16-10-8-15(18)9-11-16)17(21)20(2)12-14-6-4-3-5-7-14/h3-11,13,19H,12H2,1-2H3
InChIKeyFHYIGCYNRSIAGF-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.80
Rot. Bonds5

About N-benzyl-2-(4-chloroanilino)-N-methylpropanamide

N-benzyl-2-(4-chloroanilino)-N-methylpropanamide (PubChem CID 78786179) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-benzyl-2-(4-chloroanilino)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloroanilino)-N-methylpropanamide
PubChem CID78786179
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-benzyl-2-(4-chloroanilino)-N-methylpropanamide
SMILESCC(Nc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13(19-16-10-8-15(18)9-11-16)17(21)20(2)12-14-6-4-3-5-7-14/h3-11,13,19H,12H2,1-2H3
InChIKeyFHYIGCYNRSIAGF-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-(4-chloroanilino)-N-methylpropanamide 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

4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 55511124
2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 78768765
(2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide
CID 99822953
(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967422
2-(4-chloroanilino)-N-(2-cyanoethyl)-N-methylpropanamide
CID 86910162
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
2-(4-chloroanilino)-1-phenylpropan-1-one
CID 14026529
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55347038
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide
CID 110301089
1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
CID 102087600
2-amino-3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179376

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloroanilino)-N-methylpropanamide?
The IUPAC name of N-benzyl-2-(4-chloroanilino)-N-methylpropanamide (CID 78786179) is N-benzyl-2-(4-chloroanilino)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-2-(4-chloroanilino)-N-methylpropanamide?
The canonical SMILES for N-benzyl-2-(4-chloroanilino)-N-methylpropanamide is CC(Nc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-chloroanilino)-N-methylpropanamide?
The InChIKey is FHYIGCYNRSIAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13(19-16-10-8-15(18)9-11-16)17(21)20(2)12-14-6-4-3-5-7-14/h3-11,13,19H,12H2,1-2H3.
What are the key properties of N-benzyl-2-(4-chloroanilino)-N-methylpropanamide?
N-benzyl-2-(4-chloroanilino)-N-methylpropanamide has a molecular weight of 302.81 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chloroanilino)-N-methylpropanamide is sourced from PubChem (CID 78786179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).