N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide

C15H13F3N2OS — CID 9099106

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide
SMILESO=C(CNc1ccccc1F)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H13F3N2OS/c16-12-3-1-2-4-13(12)19-9-14(21)20-10-5-7-11(8-6-10)22-15(17)18/h1-8,15,19H,9H2,(H,20,21)
InChIKeyIBVROKCWUUKDRF-UHFFFAOYSA-N
MW326.34 g/mol
LogP4.19
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide (PubChem CID 9099106) has the molecular formula C15H13F3N2OS and a molecular weight of 326.34 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide
PubChem CID9099106
Molecular FormulaC15H13F3N2OS
Molecular Weight326.34 g/mol
Exact Mass326.07
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide
SMILESO=C(CNc1ccccc1F)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H13F3N2OS/c16-12-3-1-2-4-13(12)19-9-14(21)20-10-5-7-11(8-6-10)22-15(17)18/h1-8,15,19H,9H2,(H,20,21)
InChIKeyIBVROKCWUUKDRF-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9098703
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 2326558
N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105236
N-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetamide
CID 9099109
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methyl-5-nitroanilino)acetamide
CID 9081598
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914909
N-(3,5-dimethoxyphenyl)-2-(2-fluoroanilino)acetamide
CID 26417450
3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
CID 109034353
1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea
CID 4852232
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9335414
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide (CID 9099106) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide is O=C(CNc1ccccc1F)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide?
The InChIKey is IBVROKCWUUKDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2OS/c16-12-3-1-2-4-13(12)19-9-14(21)20-10-5-7-11(8-6-10)22-15(17)18/h1-8,15,19H,9H2,(H,20,21).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide has a molecular weight of 326.34 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide is sourced from PubChem (CID 9099106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).