2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide

C19H23ClN2O — CID 119799878

IUPAC2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide
SMILESCC(C)CC(NC(=O)Cc1ccc(N)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-13(2)11-18(15-5-7-16(20)8-6-15)22-19(23)12-14-3-9-17(21)10-4-14/h3-10,13,18H,11-12,21H2,1-2H3,(H,22,23)
InChIKeyZSQMUCAPFOJLAC-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.37
Rot. Bonds6

About 2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide

2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide (PubChem CID 119799878) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide
PubChem CID119799878
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide
SMILESCC(C)CC(NC(=O)Cc1ccc(N)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-13(2)11-18(15-5-7-16(20)8-6-15)22-19(23)12-14-3-9-17(21)10-4-14/h3-10,13,18H,11-12,21H2,1-2H3,(H,22,23)
InChIKeyZSQMUCAPFOJLAC-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide 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

2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 119689371
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648
2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
CID 119724723
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-hydroxyphenyl)acetamide
CID 110004632
(3R)-3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 1263720
2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide
CID 71459140
2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide
CID 94694538

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide (CID 119799878) is 2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide is CC(C)CC(NC(=O)Cc1ccc(N)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide?
The InChIKey is ZSQMUCAPFOJLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-13(2)11-18(15-5-7-16(20)8-6-15)22-19(23)12-14-3-9-17(21)10-4-14/h3-10,13,18H,11-12,21H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide?
2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide has a molecular weight of 330.86 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide is sourced from PubChem (CID 119799878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).