1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C24H23F4N3O3 — CID 55765326

IUPAC1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)c(C(F)(F)F)c1)c1ccccc1F
InChIInChI=1S/C24H23F4N3O3/c25-19-8-4-3-7-17(19)23(34)29-15-9-10-20(18(12-15)24(26,27)28)30-22(33)14-11-21(32)31(13-14)16-5-1-2-6-16/h3-4,7-10,12,14,16H,1-2,5-6,11,13H2,(H,29,34)(H,30,33)
InChIKeyHOIWWVPZQNAMKS-UHFFFAOYSA-N
MW477.46 g/mol
LogP4.83
Rot. Bonds5

About 1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55765326) has the molecular formula C24H23F4N3O3 and a molecular weight of 477.46 g/mol. Its IUPAC name is 1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55765326
Molecular FormulaC24H23F4N3O3
Molecular Weight477.46 g/mol
Exact Mass477.17
IUPAC Name1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)c(C(F)(F)F)c1)c1ccccc1F
InChIInChI=1S/C24H23F4N3O3/c25-19-8-4-3-7-17(19)23(34)29-15-9-10-20(18(12-15)24(26,27)28)30-22(33)14-11-21(32)31(13-14)16-5-1-2-6-16/h3-4,7-10,12,14,16H,1-2,5-6,11,13H2,(H,29,34)(H,30,33)
InChIKeyHOIWWVPZQNAMKS-UHFFFAOYSA-N
XLogP4.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120604507
(3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 97082963
1-cycloheptyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113185547
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
1-cyclohexyl-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 110423369
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765550
1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17081472
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
1-cyclopentyl-N-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43024507
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 55765326) is 1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)c(C(F)(F)F)c1)c1ccccc1F.
What is the InChIKey of 1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HOIWWVPZQNAMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O3/c25-19-8-4-3-7-17(19)23(34)29-15-9-10-20(18(12-15)24(26,27)28)30-22(33)14-11-21(32)31(13-14)16-5-1-2-6-16/h3-4,7-10,12,14,16H,1-2,5-6,11,13H2,(H,29,34)(H,30,33).
What are the key properties of 1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 477.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55765326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).