2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide

C18H16ClFN2O3 — CID 7548589

IUPAC2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)c3c(F)cccc3Cl)CC2=O)cc1
InChIInChI=1S/C18H16ClFN2O3/c1-25-13-7-5-12(6-8-13)22-10-11(9-16(22)23)21-18(24)17-14(19)3-2-4-15(17)20/h2-8,11H,9-10H2,1H3,(H,21,24)/t11-/m0/s1
InChIKeyYDEBIJXJHVZPQJ-NSHDSACASA-N
MW362.79 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide

2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 7548589) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID7548589
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC Name2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)c3c(F)cccc3Cl)CC2=O)cc1
InChIInChI=1S/C18H16ClFN2O3/c1-25-13-7-5-12(6-8-13)22-10-11(9-16(22)23)21-18(24)17-14(19)3-2-4-15(17)20/h2-8,11H,9-10H2,1H3,(H,21,24)/t11-/m0/s1
InChIKeyYDEBIJXJHVZPQJ-NSHDSACASA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970989
2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide
CID 7255708
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide
CID 16822238
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827
2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547250
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524
4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
1-(3-chloro-2-methylphenyl)-3-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215331
5-chloro-2-methoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548591
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 7548589) is 2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide is COc1ccc(N2C[C@@H](NC(=O)c3c(F)cccc3Cl)CC2=O)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is YDEBIJXJHVZPQJ-NSHDSACASA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c1-25-13-7-5-12(6-8-13)22-10-11(9-16(22)23)21-18(24)17-14(19)3-2-4-15(17)20/h2-8,11H,9-10H2,1H3,(H,21,24)/t11-/m0/s1.
What are the key properties of 2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 362.79 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7548589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).