4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide

C18H16ClFN2O4S — CID 86939859

IUPAC4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)ccc1Cl
InChIInChI=1S/C18H16ClFN2O4S/c1-27(25,26)16-9-11(4-6-13(16)19)18(24)21-12-5-7-15(14(20)10-12)22-8-2-3-17(22)23/h4-7,9-10H,2-3,8H2,1H3,(H,21,24)
InChIKeyKCRJAHDDNARLEH-UHFFFAOYSA-N
MW410.85 g/mol
LogP3.26
Rot. Bonds4

About 4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide

4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide (PubChem CID 86939859) has the molecular formula C18H16ClFN2O4S and a molecular weight of 410.85 g/mol. Its IUPAC name is 4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide
PubChem CID86939859
Molecular FormulaC18H16ClFN2O4S
Molecular Weight410.85 g/mol
Exact Mass410.05
IUPAC Name4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)ccc1Cl
InChIInChI=1S/C18H16ClFN2O4S/c1-27(25,26)16-9-11(4-6-13(16)19)18(24)21-12-5-7-15(14(20)10-12)22-8-2-3-17(22)23/h4-7,9-10H,2-3,8H2,1H3,(H,21,24)
InChIKeyKCRJAHDDNARLEH-UHFFFAOYSA-N
XLogP3.26
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.85
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide
CID 86939994
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
3-cyclopentyloxy-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 86939694
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide
CID 94105507
N-(3-chloro-4-methylsulfonylphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167925841
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide
CID 46699695
3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687739
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875
4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18292701

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide (CID 86939859) is 4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide is CS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide?
The InChIKey is KCRJAHDDNARLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O4S/c1-27(25,26)16-9-11(4-6-13(16)19)18(24)21-12-5-7-15(14(20)10-12)22-8-2-3-17(22)23/h4-7,9-10H,2-3,8H2,1H3,(H,21,24).
What are the key properties of 4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide?
4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide has a molecular weight of 410.85 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 86939859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).