N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide

C16H14F2N2O2 — CID 18160924

IUPACN-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O2/c1-10(19-16(22)11-5-3-2-4-6-11)15(21)20-14-8-7-12(17)9-13(14)18/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyFYSXHYGKNBFEJD-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.72
Rot. Bonds4

About N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide

N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide (PubChem CID 18160924) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
PubChem CID18160924
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O2/c1-10(19-16(22)11-5-3-2-4-6-11)15(21)20-14-8-7-12(17)9-13(14)18/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyFYSXHYGKNBFEJD-UHFFFAOYSA-N
XLogP2.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51158539
N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide
CID 55455707
N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide
CID 51195160
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054492
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 51605145
N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide
CID 18094383
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
CID 46756229
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110407656
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
CID 9274019

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide (CID 18160924) is N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide?
The InChIKey is FYSXHYGKNBFEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-10(19-16(22)11-5-3-2-4-6-11)15(21)20-14-8-7-12(17)9-13(14)18/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide?
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide has a molecular weight of 304.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 18160924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).