N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide

C16H17ClN2O — CID 62367069

IUPACN-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(N)cc2Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-3-2-4-12(9-11)5-8-16(20)19-15-7-6-13(18)10-14(15)17/h2-4,6-7,9-10H,5,8,18H2,1H3,(H,19,20)
InChIKeyDBGKFUUAHJMRAP-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.80
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide

N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide (PubChem CID 62367069) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide
PubChem CID62367069
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(N)cc2Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-3-2-4-12(9-11)5-8-16(20)19-15-7-6-13(18)10-14(15)17/h2-4,6-7,9-10H,5,8,18H2,1H3,(H,19,20)
InChIKeyDBGKFUUAHJMRAP-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.80
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

N-(2-amino-5-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62366718
N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 103479751
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
N-(4-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
CID 79994081
N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide
CID 82881123
3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide
CID 28713636
N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide
CID 78965143
3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 28713525
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
N-(2-acetylphenyl)-3-(3-methylphenyl)propanamide
CID 60700220
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(3-amino-5-fluorophenyl)-3-(3-methylphenyl)propanamide
CID 107333898

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide (CID 62367069) is N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2ccc(N)cc2Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide?
The InChIKey is DBGKFUUAHJMRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-3-2-4-12(9-11)5-8-16(20)19-15-7-6-13(18)10-14(15)17/h2-4,6-7,9-10H,5,8,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide?
N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide has a molecular weight of 288.78 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 62367069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).