3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide

C18H21ClN2O — CID 71731035

IUPAC3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O/c1-18(2,20)11-17(22)21-12-13-6-8-14(9-7-13)15-4-3-5-16(19)10-15/h3-10H,11-12,20H2,1-2H3,(H,21,22)
InChIKeyDZQUBKVAFXKZHJ-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.75
Rot. Bonds5

About 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide

3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide (PubChem CID 71731035) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide
PubChem CID71731035
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O/c1-18(2,20)11-17(22)21-12-13-6-8-14(9-7-13)15-4-3-5-16(19)10-15/h3-10H,11-12,20H2,1-2H3,(H,21,22)
InChIKeyDZQUBKVAFXKZHJ-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide 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-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]acetamide
CID 110477641
3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408497
3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 64686332
3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide
CID 64678020
3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 64677992
3-amino-3-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 64679667
3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide
CID 115154967
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
chloromethane;methyl (2R,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-hydroxybutanoate;methyl (2S,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-hydroxybutanoate
CID 159151888
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide (CID 71731035) is 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide is CC(C)(N)CC(=O)NCc1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide?
The InChIKey is DZQUBKVAFXKZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-18(2,20)11-17(22)21-12-13-6-8-14(9-7-13)15-4-3-5-16(19)10-15/h3-10H,11-12,20H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide?
3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide has a molecular weight of 316.83 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 71731035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).