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

C17H16F2N2O2 — CID 51195160

IUPACN-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)Nc1ccc(F)cc1F)NC(=O)c1ccccc1
InChIInChI=1S/C17H16F2N2O2/c1-11(20-17(23)12-5-3-2-4-6-12)9-16(22)21-15-8-7-13(18)10-14(15)19/h2-8,10-11H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyAZIQHXNDTJMWII-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.11
Rot. Bonds5

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

N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide (PubChem CID 51195160) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide
PubChem CID51195160
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)Nc1ccc(F)cc1F)NC(=O)c1ccccc1
InChIInChI=1S/C17H16F2N2O2/c1-11(20-17(23)12-5-3-2-4-6-12)9-16(22)21-15-8-7-13(18)10-14(15)19/h2-8,10-11H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyAZIQHXNDTJMWII-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 109044182
4-(2,4-difluoroanilino)-2-methyl-4-oxobutanoic acid
CID 115164947
N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide
CID 55455707
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51195280
1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054492
[2-(2,4-difluoroanilino)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 2098198
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622
N-[(2S)-1-aminopropan-2-yl]-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 120506377
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-benzamidobutanoate
CID 55379997
N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide
CID 25408367
[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684101

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide (CID 51195160) is N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide is CC(CC(=O)Nc1ccc(F)cc1F)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide?
The InChIKey is AZIQHXNDTJMWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-11(20-17(23)12-5-3-2-4-6-12)9-16(22)21-15-8-7-13(18)10-14(15)19/h2-8,10-11H,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide?
N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide has a molecular weight of 318.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51195160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).