1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C18H17F2N3O2 — CID 166181824

IUPAC1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(c2ccccc2F)C1)c1ccncc1F
InChIInChI=1S/C18H17F2N3O2/c1-11(13-6-7-21-9-15(13)20)22-18(25)12-8-17(24)23(10-12)16-5-3-2-4-14(16)19/h2-7,9,11-12H,8,10H2,1H3,(H,22,25)
InChIKeyVIXKEBKOXRZNEH-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.59
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 166181824) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID166181824
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(c2ccccc2F)C1)c1ccncc1F
InChIInChI=1S/C18H17F2N3O2/c1-11(13-6-7-21-9-15(13)20)22-18(25)12-8-17(24)23(10-12)16-5-3-2-4-14(16)19/h2-7,9,11-12H,8,10H2,1H3,(H,22,25)
InChIKeyVIXKEBKOXRZNEH-UHFFFAOYSA-N
XLogP2.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
1-(2-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43022713
1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46663719
N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43024563
(2R)-2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363195
1-(2-methoxyphenyl)-5-oxo-N-(1-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 78775658
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237470
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9115666
1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 16557109
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55637454
(3R)-1-(2-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29134329

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 166181824) is 1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CC(NC(=O)C1CC(=O)N(c2ccccc2F)C1)c1ccncc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VIXKEBKOXRZNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-11(13-6-7-21-9-15(13)20)22-18(25)12-8-17(24)23(10-12)16-5-3-2-4-14(16)19/h2-7,9,11-12H,8,10H2,1H3,(H,22,25).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166181824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).