1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H16ClFN4O2 — CID 55956043

IUPAC1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H16ClFN4O2/c21-14-1-4-16(5-2-14)26-11-13(9-19(26)27)20(28)24-15-3-6-18(17(22)10-15)25-8-7-23-12-25/h1-8,10,12-13H,9,11H2,(H,24,28)
InChIKeyKUOZAVFMUXYOMA-UHFFFAOYSA-N
MW398.83 g/mol
LogP3.66
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55956043) has the molecular formula C20H16ClFN4O2 and a molecular weight of 398.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55956043
Molecular FormulaC20H16ClFN4O2
Molecular Weight398.83 g/mol
Exact Mass398.09
IUPAC Name1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H16ClFN4O2/c21-14-1-4-16(5-2-14)26-11-13(9-19(26)27)20(28)24-15-3-6-18(17(22)10-15)25-8-7-23-12-25/h1-8,10,12-13H,9,11H2,(H,24,28)
InChIKeyKUOZAVFMUXYOMA-UHFFFAOYSA-N
XLogP3.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60573648
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
(3R)-N-(3-chloro-4-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350589
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55813544
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1366068
N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 113192169
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
1-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55871843
1-(4-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187469
4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 2983118
N-(3,4-difluorophenyl)-1-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189711

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55956043) is 1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KUOZAVFMUXYOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O2/c21-14-1-4-16(5-2-14)26-11-13(9-19(26)27)20(28)24-15-3-6-18(17(22)10-15)25-8-7-23-12-25/h1-8,10,12-13H,9,11H2,(H,24,28).
What are the key properties of 1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 398.83 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55956043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).