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

C17H14ClFN2O2 — CID 17487375

IUPAC2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H14ClFN2O2/c18-15-9-11(19)6-7-14(15)17(23)20-12-3-1-4-13(10-12)21-8-2-5-16(21)22/h1,3-4,6-7,9-10H,2,5,8H2,(H,20,23)
InChIKeyAKEGADVIBQEYLA-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.86
Rot. Bonds3

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

2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 17487375) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID17487375
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H14ClFN2O2/c18-15-9-11(19)6-7-14(15)17(23)20-12-3-1-4-13(10-12)21-8-2-5-16(21)22/h1,3-4,6-7,9-10H,2,5,8H2,(H,20,23)
InChIKeyAKEGADVIBQEYLA-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide
CID 55396013
1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-3-carboxamide
CID 43071783
N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679468
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
4-amino-5-chloro-2-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 119724540
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62045003
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 17487375) is 2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is AKEGADVIBQEYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c18-15-9-11(19)6-7-14(15)17(23)20-12-3-1-4-13(10-12)21-8-2-5-16(21)22/h1,3-4,6-7,9-10H,2,5,8H2,(H,20,23).
What are the key properties of 2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 332.76 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 17487375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).