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

C15H12F4N2O — CID 51248549

IUPAC2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(Nc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H12F4N2O/c1-8(20-9-2-4-11(16)13(18)6-9)15(22)21-10-3-5-12(17)14(19)7-10/h2-8,20H,1H3,(H,21,22)
InChIKeyVOIUCAZDIMHUFW-UHFFFAOYSA-N
MW312.27 g/mol
LogP3.68
Rot. Bonds4

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

2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide (PubChem CID 51248549) has the molecular formula C15H12F4N2O and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
PubChem CID51248549
Molecular FormulaC15H12F4N2O
Molecular Weight312.27 g/mol
Exact Mass312.09
IUPAC Name2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(Nc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H12F4N2O/c1-8(20-9-2-4-11(16)13(18)6-9)15(22)21-10-3-5-12(17)14(19)7-10/h2-8,20H,1H3,(H,21,22)
InChIKeyVOIUCAZDIMHUFW-UHFFFAOYSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluoroanilino)-N-phenylpropanamide
CID 43088769
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
N-butan-2-yl-2-(3,4-difluoroanilino)propanamide
CID 43116673
3-(3,4-difluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114896864
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 25360343
2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 17396649
2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
CID 78708039
tert-butyl N-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]carbamate
CID 43184932
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242256

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide (CID 51248549) is 2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide is CC(Nc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is VOIUCAZDIMHUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O/c1-8(20-9-2-4-11(16)13(18)6-9)15(22)21-10-3-5-12(17)14(19)7-10/h2-8,20H,1H3,(H,21,22).
What are the key properties of 2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide?
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide has a molecular weight of 312.27 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 51248549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).