N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide

C17H19FN2O — CID 109035607

IUPACN-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
SMILESCc1cc(C)cc(NC(=O)CCNc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-12-9-13(2)11-16(10-12)20-17(21)7-8-19-15-5-3-14(18)4-6-15/h3-6,9-11,19H,7-8H2,1-2H3,(H,20,21)
InChIKeyMPUUXRLOAXMXFH-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.88
Rot. Bonds5

About N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide

N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide (PubChem CID 109035607) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
PubChem CID109035607
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
SMILESCc1cc(C)cc(NC(=O)CCNc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-12-9-13(2)11-16(10-12)20-17(21)7-8-19-15-5-3-14(18)4-6-15/h3-6,9-11,19H,7-8H2,1-2H3,(H,20,21)
InChIKeyMPUUXRLOAXMXFH-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035743
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
CID 109037759
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109035687
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126915
3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446
3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide (CID 109035607) is N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide is Cc1cc(C)cc(NC(=O)CCNc2ccc(F)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide?
The InChIKey is MPUUXRLOAXMXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-9-13(2)11-16(10-12)20-17(21)7-8-19-15-5-3-14(18)4-6-15/h3-6,9-11,19H,7-8H2,1-2H3,(H,20,21).
What are the key properties of N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide?
N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide has a molecular weight of 286.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide is sourced from PubChem (CID 109035607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).