2-(3,4-difluoroanilino)-N-phenylpropanamide

C15H14F2N2O — CID 43088769

IUPAC2-(3,4-difluoroanilino)-N-phenylpropanamide
SMILESCC(Nc1ccc(F)c(F)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14F2N2O/c1-10(15(20)19-11-5-3-2-4-6-11)18-12-7-8-13(16)14(17)9-12/h2-10,18H,1H3,(H,19,20)
InChIKeyQKSQYKNNVDQPRI-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.40
Rot. Bonds4

About 2-(3,4-difluoroanilino)-N-phenylpropanamide

2-(3,4-difluoroanilino)-N-phenylpropanamide (PubChem CID 43088769) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-N-phenylpropanamide
PubChem CID43088769
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(3,4-difluoroanilino)-N-phenylpropanamide
SMILESCC(Nc1ccc(F)c(F)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14F2N2O/c1-10(15(20)19-11-5-3-2-4-6-11)18-12-7-8-13(16)14(17)9-12/h2-10,18H,1H3,(H,19,20)
InChIKeyQKSQYKNNVDQPRI-UHFFFAOYSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
CID 78708039
2-(3,4-difluorophenoxy)-N-phenylpropanamide
CID 42982598
N-butan-2-yl-2-(3,4-difluoroanilino)propanamide
CID 43116673
3-(3,4-difluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114896864
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786
(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide
CID 670052
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-N-phenylpropanamide?
The IUPAC name of 2-(3,4-difluoroanilino)-N-phenylpropanamide (CID 43088769) is 2-(3,4-difluoroanilino)-N-phenylpropanamide.
What is the SMILES notation for 2-(3,4-difluoroanilino)-N-phenylpropanamide?
The canonical SMILES for 2-(3,4-difluoroanilino)-N-phenylpropanamide is CC(Nc1ccc(F)c(F)c1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(3,4-difluoroanilino)-N-phenylpropanamide?
The InChIKey is QKSQYKNNVDQPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-10(15(20)19-11-5-3-2-4-6-11)18-12-7-8-13(16)14(17)9-12/h2-10,18H,1H3,(H,19,20).
What are the key properties of 2-(3,4-difluoroanilino)-N-phenylpropanamide?
2-(3,4-difluoroanilino)-N-phenylpropanamide has a molecular weight of 276.29 g/mol, XLogP of 3.40, 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-phenylpropanamide is sourced from PubChem (CID 43088769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).