N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide

C21H16F2N2O2 — CID 55455707

IUPACN-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide
SMILESO=C(NC(C(=O)Nc1ccc(F)cc1F)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16F2N2O2/c22-16-11-12-18(17(23)13-16)24-21(27)19(14-7-3-1-4-8-14)25-20(26)15-9-5-2-6-10-15/h1-13,19H,(H,24,27)(H,25,26)
InChIKeyPNUHXKCGLQATLY-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.07
Rot. Bonds5

About N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide

N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide (PubChem CID 55455707) has the molecular formula C21H16F2N2O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide
PubChem CID55455707
Molecular FormulaC21H16F2N2O2
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide
SMILESO=C(NC(C(=O)Nc1ccc(F)cc1F)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16F2N2O2/c22-16-11-12-18(17(23)13-16)24-21(27)19(14-7-3-1-4-8-14)25-20(26)15-9-5-2-6-10-15/h1-13,19H,(H,24,27)(H,25,26)
InChIKeyPNUHXKCGLQATLY-UHFFFAOYSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.07
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
1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054492
(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N-(2,4-difluorophenyl)-2-phenylacetamide
CID 146014432
N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide
CID 51195160
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide
CID 72705119
4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286605
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
CID 2547216
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248668
N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide
CID 38228396

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide (CID 55455707) is N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide is O=C(NC(C(=O)Nc1ccc(F)cc1F)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide?
The InChIKey is PNUHXKCGLQATLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2/c22-16-11-12-18(17(23)13-16)24-21(27)19(14-7-3-1-4-8-14)25-20(26)15-9-5-2-6-10-15/h1-13,19H,(H,24,27)(H,25,26).
What are the key properties of N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide?
N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide has a molecular weight of 366.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 55455707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).