1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C23H24F4N2O3 — CID 71956432

IUPAC1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)C1CN(C(=O)c2ccccc2F)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H24F4N2O3/c1-32-11-5-10-28-21(30)19-14-29(22(31)17-8-2-3-9-20(17)24)13-18(19)15-6-4-7-16(12-15)23(25,26)27/h2-4,6-9,12,18-19H,5,10-11,13-14H2,1H3,(H,28,30)
InChIKeyAHOVKGMCRLCKSC-UHFFFAOYSA-N
MW452.45 g/mol
LogP3.85
Rot. Bonds7

About 1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 71956432) has the molecular formula C23H24F4N2O3 and a molecular weight of 452.45 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID71956432
Molecular FormulaC23H24F4N2O3
Molecular Weight452.45 g/mol
Exact Mass452.17
IUPAC Name1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)C1CN(C(=O)c2ccccc2F)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H24F4N2O3/c1-32-11-5-10-28-21(30)19-14-29(22(31)17-8-2-3-9-20(17)24)13-18(19)15-6-4-7-16(12-15)23(25,26)27/h2-4,6-9,12,18-19H,5,10-11,13-14H2,1H3,(H,28,30)
InChIKeyAHOVKGMCRLCKSC-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzodioxole-5-carbonyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680356
(3R,4S)-1-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149402
1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42681313
(3R,4S)-4-(2,4-dimethoxyphenyl)-1-(2-fluorobenzoyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 93154103
N-butyl-1-(3,3-dimethylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825952
N-butyl-1-(cyclopropanecarbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680394
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680876
(3S,4R)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93150856
(3R,4R)-1-benzoyl-N-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93148987
(3S,4R)-1-benzoyl-N-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93148986
(3S,4R)-N-benzyl-1-(2,4-dichlorobenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 98421116
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680347

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 71956432) is 1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is COCCCNC(=O)C1CN(C(=O)c2ccccc2F)CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is AHOVKGMCRLCKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O3/c1-32-11-5-10-28-21(30)19-14-29(22(31)17-8-2-3-9-20(17)24)13-18(19)15-6-4-7-16(12-15)23(25,26)27/h2-4,6-9,12,18-19H,5,10-11,13-14H2,1H3,(H,28,30).
What are the key properties of 1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 452.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)-N-(3-methoxypropyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71956432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).