3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide

C15H13F3N2O — CID 109042035

IUPAC3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCNc1ccc(F)cc1F)Nc1cccc(F)c1
InChIInChI=1S/C15H13F3N2O/c16-10-2-1-3-12(8-10)20-15(21)6-7-19-14-5-4-11(17)9-13(14)18/h1-5,8-9,19H,6-7H2,(H,20,21)
InChIKeyNMJABRGTMPMDNZ-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.54
Rot. Bonds5

About 3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide

3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide (PubChem CID 109042035) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
PubChem CID109042035
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCNc1ccc(F)cc1F)Nc1cccc(F)c1
InChIInChI=1S/C15H13F3N2O/c16-10-2-1-3-12(8-10)20-15(21)6-7-19-14-5-4-11(17)9-13(14)18/h1-5,8-9,19H,6-7H2,(H,20,21)
InChIKeyNMJABRGTMPMDNZ-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
3-(4-bromo-2-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042029
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109042099
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide
CID 109042490
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]amino]benzoate
CID 109041347
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109042006
N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109041136
[2-(2,4-difluoroanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2658603

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide (CID 109042035) is 3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide is O=C(CCNc1ccc(F)cc1F)Nc1cccc(F)c1.
What is the InChIKey of 3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide?
The InChIKey is NMJABRGTMPMDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-10-2-1-3-12(8-10)20-15(21)6-7-19-14-5-4-11(17)9-13(14)18/h1-5,8-9,19H,6-7H2,(H,20,21).
What are the key properties of 3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide?
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide has a molecular weight of 294.28 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 109042035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).