3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide

C19H15F2N3O2 — CID 56908840

IUPAC3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide
SMILESN#Cc1cc(F)cc(C(=O)NC2CC(=O)N(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H15F2N3O2/c20-15-3-1-12(2-4-15)10-24-11-17(8-18(24)25)23-19(26)14-5-13(9-22)6-16(21)7-14/h1-7,17H,8,10-11H2,(H,23,26)
InChIKeyCDPDZFHKLJDCCO-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.37
Rot. Bonds4

About 3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide

3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 56908840) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide
PubChem CID56908840
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide
SMILESN#Cc1cc(F)cc(C(=O)NC2CC(=O)N(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H15F2N3O2/c20-15-3-1-12(2-4-15)10-24-11-17(8-18(24)25)23-19(26)14-5-13(9-22)6-16(21)7-14/h1-7,17H,8,10-11H2,(H,23,26)
InChIKeyCDPDZFHKLJDCCO-UHFFFAOYSA-N
XLogP2.37
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
CID 95334504
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 42528068
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42123595
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 25383408
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1H-indole-6-carboxamide
CID 95327025
2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25382394
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 26401895
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45248913
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide
CID 95324569
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

Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide (CID 56908840) is 3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide is N#Cc1cc(F)cc(C(=O)NC2CC(=O)N(Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of 3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is CDPDZFHKLJDCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c20-15-3-1-12(2-4-15)10-24-11-17(8-18(24)25)23-19(26)14-5-13(9-22)6-16(21)7-14/h1-7,17H,8,10-11H2,(H,23,26).
What are the key properties of 3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide?
3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 355.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 56908840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).