N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide

C19H17ClF2N2O4S — CID 16918924

IUPACN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide
SMILESO=C(NCC1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C19H17ClF2N2O4S/c20-13-5-7-14(8-6-13)24-11-12(9-17(24)25)10-23-18(26)15-3-1-2-4-16(15)29(27,28)19(21)22/h1-8,12,19H,9-11H2,(H,23,26)
InChIKeyUSTSJTCHFJCACY-UHFFFAOYSA-N
MW442.87 g/mol
LogP3.12
Rot. Bonds6

About N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide

N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide (PubChem CID 16918924) has the molecular formula C19H17ClF2N2O4S and a molecular weight of 442.87 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide
PubChem CID16918924
Molecular FormulaC19H17ClF2N2O4S
Molecular Weight442.87 g/mol
Exact Mass442.06
IUPAC NameN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide
SMILESO=C(NCC1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C19H17ClF2N2O4S/c20-13-5-7-14(8-6-13)24-11-12(9-17(24)25)10-23-18(26)15-3-1-2-4-16(15)29(27,28)19(21)22/h1-8,12,19H,9-11H2,(H,23,26)
InChIKeyUSTSJTCHFJCACY-UHFFFAOYSA-N
XLogP3.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide
CID 16918926
2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918699
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 16918798
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide
CID 16918695
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918317
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 16918866
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide
CID 40895555
N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40897867
1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-hydroxy-1-(4-phenylphenyl)ethyl]urea
CID 166379739

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide?
The IUPAC name of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide (CID 16918924) is N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide is O=C(NCC1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide?
The InChIKey is USTSJTCHFJCACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O4S/c20-13-5-7-14(8-6-13)24-11-12(9-17(24)25)10-23-18(26)15-3-1-2-4-16(15)29(27,28)19(21)22/h1-8,12,19H,9-11H2,(H,23,26).
What are the key properties of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide?
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide has a molecular weight of 442.87 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide is sourced from PubChem (CID 16918924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).