3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide

C19H23ClN2O — CID 120610426

IUPAC3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide
SMILESCC(C)(CNC(=O)CCc1ccccc1N)c1ccccc1Cl
InChIInChI=1S/C19H23ClN2O/c1-19(2,15-8-4-5-9-16(15)20)13-22-18(23)12-11-14-7-3-6-10-17(14)21/h3-10H,11-13,21H2,1-2H3,(H,22,23)
InChIKeyKYKGNNVTZOAFPF-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.95
Rot. Bonds6

About 3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide

3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide (PubChem CID 120610426) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide
PubChem CID120610426
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide
SMILESCC(C)(CNC(=O)CCc1ccccc1N)c1ccccc1Cl
InChIInChI=1S/C19H23ClN2O/c1-19(2,15-8-4-5-9-16(15)20)13-22-18(23)12-11-14-7-3-6-10-17(14)21/h3-10H,11-13,21H2,1-2H3,(H,22,23)
InChIKeyKYKGNNVTZOAFPF-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610225
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride
CID 120610929
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide
CID 120610293
N-[2-(2-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119773024
3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119773046
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 120610292
3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610551
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide
CID 119773059
3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28714106
3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide
CID 107273388
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide (CID 120610426) is 3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide is CC(C)(CNC(=O)CCc1ccccc1N)c1ccccc1Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide?
The InChIKey is KYKGNNVTZOAFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-19(2,15-8-4-5-9-16(15)20)13-22-18(23)12-11-14-7-3-6-10-17(14)21/h3-10H,11-13,21H2,1-2H3,(H,22,23).
What are the key properties of 3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide?
3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide has a molecular weight of 330.86 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide is sourced from PubChem (CID 120610426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).