2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide

C17H19ClN2O2 — CID 110451563

IUPAC2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)c2ccc(N)cc2)cc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-17(2,11-4-6-12(19)7-5-11)16(21)20-13-8-9-15(22-3)14(18)10-13/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyDSQPFQCLMHCQFQ-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.85
Rot. Bonds4

About 2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide

2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide (PubChem CID 110451563) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide
PubChem CID110451563
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)c2ccc(N)cc2)cc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-17(2,11-4-6-12(19)7-5-11)16(21)20-13-8-9-15(22-3)14(18)10-13/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyDSQPFQCLMHCQFQ-UHFFFAOYSA-N
XLogP3.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794943
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438825
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119419316
N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110438694
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928285
2-(4-aminophenyl)-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 80549578
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea
CID 113216338
1-(3-chloro-4-methoxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 10245038
N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108955403
N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide
CID 108958078
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961265

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide (CID 110451563) is 2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)c2ccc(N)cc2)cc1Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is DSQPFQCLMHCQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-17(2,11-4-6-12(19)7-5-11)16(21)20-13-8-9-15(22-3)14(18)10-13/h4-10H,19H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 318.80 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 110451563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).