N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide

C18H16ClFN2O2 — CID 95324569

IUPACN-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide
SMILESO=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1c(F)cccc1Cl
InChIInChI=1S/C18H16ClFN2O2/c19-14-7-4-8-15(20)17(14)18(24)21-13-9-16(23)22(11-13)10-12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H,21,24)/t13-/m0/s1
InChIKeyLSKWSTBSFLLAJH-ZDUSSCGKSA-N
MW346.79 g/mol
LogP3.01
Rot. Bonds4

About N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide

N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide (PubChem CID 95324569) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide
PubChem CID95324569
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC NameN-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide
SMILESO=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1c(F)cccc1Cl
InChIInChI=1S/C18H16ClFN2O2/c19-14-7-4-8-15(20)17(14)18(24)21-13-9-16(23)22(11-13)10-12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H,21,24)/t13-/m0/s1
InChIKeyLSKWSTBSFLLAJH-ZDUSSCGKSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,6-difluorophenyl)urea
CID 108876524
2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25382394
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 95594104
2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548589
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
CID 95334504
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95335220
2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 42392564
2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide
CID 7255708
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide (CID 95324569) is N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide is O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1c(F)cccc1Cl.
What is the InChIKey of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide?
The InChIKey is LSKWSTBSFLLAJH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-14-7-4-8-15(20)17(14)18(24)21-13-9-16(23)22(11-13)10-12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H,21,24)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide?
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide has a molecular weight of 346.79 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 95324569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).