(2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide

C16H15F3N2O3S — CID 99131742

IUPAC(2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H15F3N2O3S/c1-10(16(22)20-11-7-8-12(17)14(19)9-11)21(25(2,23)24)15-6-4-3-5-13(15)18/h3-10H,1-2H3,(H,20,22)/t10-/m1/s1
InChIKeyFPPNGDSOYBXOOV-SNVBAGLBSA-N
MW372.37 g/mol
LogP2.90
Rot. Bonds5

About (2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide

(2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 99131742) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is (2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID99131742
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name(2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H15F3N2O3S/c1-10(16(22)20-11-7-8-12(17)14(19)9-11)21(25(2,23)24)15-6-4-3-5-13(15)18/h3-10H,1-2H3,(H,20,22)/t10-/m1/s1
InChIKeyFPPNGDSOYBXOOV-SNVBAGLBSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 132672856
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166753
N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285822
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 99131874
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 133166882
(2S)-N-(2,5-dimethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99132038
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 99131961
(2S)-N-(3,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanamide
CID 42561501
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53285802
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285843

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide (CID 99131742) is (2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide is C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of (2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is FPPNGDSOYBXOOV-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-10(16(22)20-11-7-8-12(17)14(19)9-11)21(25(2,23)24)15-6-4-3-5-13(15)18/h3-10H,1-2H3,(H,20,22)/t10-/m1/s1.
What are the key properties of (2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
(2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 372.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 99131742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).