N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide

C17H16F2N2O4S — CID 17483539

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2N2O4S/c1-26(24,25)10-11-2-4-12(5-3-11)17(23)20-9-16(22)21-13-6-7-14(18)15(19)8-13/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyLAOLQNZGOPJMNJ-UHFFFAOYSA-N
MW382.39 g/mol
LogP1.88
Rot. Bonds6

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 17483539) has the molecular formula C17H16F2N2O4S and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID17483539
Molecular FormulaC17H16F2N2O4S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2N2O4S/c1-26(24,25)10-11-2-4-12(5-3-11)17(23)20-9-16(22)21-13-6-7-14(18)15(19)8-13/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyLAOLQNZGOPJMNJ-UHFFFAOYSA-N
XLogP1.88
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 9224687
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 27760143
4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301361
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7752801
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 27054975
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26560592
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide (CID 17483539) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is LAOLQNZGOPJMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4S/c1-26(24,25)10-11-2-4-12(5-3-11)17(23)20-9-16(22)21-13-6-7-14(18)15(19)8-13/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 382.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 17483539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).