N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide

C19H21ClN2O2 — CID 42911459

IUPACN-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(22(3)12-15-4-8-17(20)9-5-15)19(24)21-18-10-6-16(7-11-18)14(2)23/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyMCPDFMRLUQCRPO-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.00
Rot. Bonds6

About N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide

N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide (PubChem CID 42911459) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
PubChem CID42911459
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(22(3)12-15-4-8-17(20)9-5-15)19(24)21-18-10-6-16(7-11-18)14(2)23/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyMCPDFMRLUQCRPO-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide 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

(2R)-N-(4-acetylphenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517311
(2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
CID 95125483
2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
CID 50960177
(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 2504362
(2R)-N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanamide
CID 8746326
(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 9054773
(2S)-N-(4-chlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
CID 9357109
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 46561693
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
CID 124732754
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45352861

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide (CID 42911459) is N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide is CC(=O)c1ccc(NC(=O)C(C)N(C)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide?
The InChIKey is MCPDFMRLUQCRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13(22(3)12-15-4-8-17(20)9-5-15)19(24)21-18-10-6-16(7-11-18)14(2)23/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide?
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide has a molecular weight of 344.84 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 42911459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).