2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide

C17H19FN2O — CID 80549657

IUPAC2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide
SMILESCc1cc(F)ccc1NC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C17H19FN2O/c1-11-10-13(18)6-9-15(11)20-16(21)17(2,3)12-4-7-14(19)8-5-12/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyYDDLEBURLWRZJE-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.63
Rot. Bonds3

About 2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide

2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide (PubChem CID 80549657) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide
PubChem CID80549657
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide
SMILESCc1cc(F)ccc1NC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C17H19FN2O/c1-11-10-13(18)6-9-15(11)20-16(21)17(2,3)12-4-7-14(19)8-5-12/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyYDDLEBURLWRZJE-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.63
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

2-(4-aminophenyl)-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 80549576
N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide
CID 113197436
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide
CID 80555203
2-(4-aminophenyl)-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 80549578
3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)-3-methylbutan-2-one
CID 114350488
2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide
CID 80555846
N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide
CID 103144554
N-(4-fluoro-2-methylphenyl)-2-oxopropanamide
CID 143920338
N-(4-fluorophenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198106
1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43165593
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide (CID 80549657) is 2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide is Cc1cc(F)ccc1NC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide?
The InChIKey is YDDLEBURLWRZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11-10-13(18)6-9-15(11)20-16(21)17(2,3)12-4-7-14(19)8-5-12/h4-10H,19H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide has a molecular weight of 286.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 80549657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).