2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide

C18H16F2N2O2 — CID 7547250

IUPAC2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCc1ccc(N2C[C@H](NC(=O)c3c(F)cccc3F)CC2=O)cc1
InChIInChI=1S/C18H16F2N2O2/c1-11-5-7-13(8-6-11)22-10-12(9-16(22)23)21-18(24)17-14(19)3-2-4-15(17)20/h2-8,12H,9-10H2,1H3,(H,21,24)/t12-/m1/s1
InChIKeyACLNURJLGCHUDB-GFCCVEGCSA-N
MW330.33 g/mol
LogP2.81
Rot. Bonds3

About 2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide

2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 7547250) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID7547250
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCc1ccc(N2C[C@H](NC(=O)c3c(F)cccc3F)CC2=O)cc1
InChIInChI=1S/C18H16F2N2O2/c1-11-5-7-13(8-6-11)22-10-12(9-16(22)23)21-18(24)17-14(19)3-2-4-15(17)20/h2-8,12H,9-10H2,1H3,(H,21,24)/t12-/m1/s1
InChIKeyACLNURJLGCHUDB-GFCCVEGCSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
2,6-difluoro-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970989
3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547228
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide
CID 16822238
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548589
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255032
2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide
CID 7255708
2-fluoro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546766
2-fluoro-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546765

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 7547250) is 2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide is Cc1ccc(N2C[C@H](NC(=O)c3c(F)cccc3F)CC2=O)cc1.
What is the InChIKey of 2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is ACLNURJLGCHUDB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-11-5-7-13(8-6-11)22-10-12(9-16(22)23)21-18(24)17-14(19)3-2-4-15(17)20/h2-8,12H,9-10H2,1H3,(H,21,24)/t12-/m1/s1.
What are the key properties of 2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide?
2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 330.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7547250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).