2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide

C17H19FN2O — CID 60638752

IUPAC2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-11-4-7-14(8-5-11)20-17(21)13(3)19-15-9-6-12(2)16(18)10-15/h4-10,13,19H,1-3H3,(H,20,21)
InChIKeyIJSYSMPUTIGJSZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.88
Rot. Bonds4

About 2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide

2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide (PubChem CID 60638752) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
PubChem CID60638752
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-11-4-7-14(8-5-11)20-17(21)13(3)19-15-9-6-12(2)16(18)10-15/h4-10,13,19H,1-3H3,(H,20,21)
InChIKeyIJSYSMPUTIGJSZ-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 17396649
2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
CID 78708039
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
2-(3,4-difluoroanilino)-N-phenylpropanamide
CID 43088769
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide
CID 51167745
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24537324
1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 17087489

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide (CID 60638752) is 2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of 2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is IJSYSMPUTIGJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11-4-7-14(8-5-11)20-17(21)13(3)19-15-9-6-12(2)16(18)10-15/h4-10,13,19H,1-3H3,(H,20,21).
What are the key properties of 2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide?
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide has a molecular weight of 286.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 60638752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).