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

C17H13F3N2O2 — CID 7563649

IUPAC3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13F3N2O2/c18-11-2-4-13(5-3-11)22-9-12(8-16(22)23)21-17(24)10-1-6-14(19)15(20)7-10/h1-7,12H,8-9H2,(H,21,24)/t12-/m1/s1
InChIKeyVQZXXYIMWJBBLN-GFCCVEGCSA-N
MW334.30 g/mol
LogP2.64
Rot. Bonds3

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

3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 7563649) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID7563649
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13F3N2O2/c18-11-2-4-13(5-3-11)22-9-12(8-16(22)23)21-17(24)10-1-6-14(19)15(20)7-10/h1-7,12H,8-9H2,(H,21,24)/t12-/m1/s1
InChIKeyVQZXXYIMWJBBLN-GFCCVEGCSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
3,4-difluoro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563424
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 18573384
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7255471
3-chloro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563634
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-phenylbenzamide
CID 7563663
3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548178
4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 18573380
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 7563649) is 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is VQZXXYIMWJBBLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-11-2-4-13(5-3-11)22-9-12(8-16(22)23)21-17(24)10-1-6-14(19)15(20)7-10/h1-7,12H,8-9H2,(H,21,24)/t12-/m1/s1.
What are the key properties of 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 334.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7563649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).