3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

C16H13F3N2O2 — CID 9439130

IUPAC3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H13F3N2O2/c1-21(16(23)10-5-12(18)7-13(19)6-10)9-15(22)20-14-4-2-3-11(17)8-14/h2-8H,9H2,1H3,(H,20,22)
InChIKeyNBZHLWCUOPWLSC-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.81
Rot. Bonds4

About 3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 9439130) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID9439130
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H13F3N2O2/c1-21(16(23)10-5-12(18)7-13(19)6-10)9-15(22)20-14-4-2-3-11(17)8-14/h2-8H,9H2,1H3,(H,20,22)
InChIKeyNBZHLWCUOPWLSC-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide
CID 8621107
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 27794667
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 27794645
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9439272
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 24980231

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (CID 9439130) is 3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is NBZHLWCUOPWLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-21(16(23)10-5-12(18)7-13(19)6-10)9-15(22)20-14-4-2-3-11(17)8-14/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of 3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 322.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 9439130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).