(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide

C24H26FN3O3 — CID 92895034

IUPAC(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC[C@H]2C(=O)NC2CCCC2)c1)c1cccc(F)c1
InChIInChI=1S/C24H26FN3O3/c25-18-8-3-6-16(14-18)22(29)27-20-11-4-7-17(15-20)24(31)28-13-5-12-21(28)23(30)26-19-9-1-2-10-19/h3-4,6-8,11,14-15,19,21H,1-2,5,9-10,12-13H2,(H,26,30)(H,27,29)/t21-/m0/s1
InChIKeyAOPWRQVKOUGDIK-NRFANRHFSA-N
MW423.49 g/mol
LogP3.74
Rot. Bonds5

About (2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide

(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 92895034) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
PubChem CID92895034
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC[C@H]2C(=O)NC2CCCC2)c1)c1cccc(F)c1
InChIInChI=1S/C24H26FN3O3/c25-18-8-3-6-16(14-18)22(29)27-20-11-4-7-17(15-20)24(31)28-13-5-12-21(28)23(30)26-19-9-1-2-10-19/h3-4,6-8,11,14-15,19,21H,1-2,5,9-10,12-13H2,(H,26,30)(H,27,29)/t21-/m0/s1
InChIKeyAOPWRQVKOUGDIK-NRFANRHFSA-N
XLogP3.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide
CID 92895030
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
(2R)-1-[3-[(3-fluorobenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92895040
(2R)-2-N-cyclopentyl-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443076
(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92728157
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 86982588
(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 51606138
(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606152
1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243601
(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51606131
N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide
CID 47158356

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide (CID 92895034) is (2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCC[C@H]2C(=O)NC2CCCC2)c1)c1cccc(F)c1.
What is the InChIKey of (2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is AOPWRQVKOUGDIK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26FN3O3/c25-18-8-3-6-16(14-18)22(29)27-20-11-4-7-17(15-20)24(31)28-13-5-12-21(28)23(30)26-19-9-1-2-10-19/h3-4,6-8,11,14-15,19,21H,1-2,5,9-10,12-13H2,(H,26,30)(H,27,29)/t21-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 92895034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).