1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

C22H24F2N2O2 — CID 42681248

IUPAC1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2ccc(F)cc2)CC1c1cccc(F)c1
InChIInChI=1S/C22H24F2N2O2/c1-14(2)11-25-21(27)20-13-26(22(28)15-6-8-17(23)9-7-15)12-19(20)16-4-3-5-18(24)10-16/h3-10,14,19-20H,11-13H2,1-2H3,(H,25,27)
InChIKeyBSCQLXVLHKNCAI-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (PubChem CID 42681248) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
PubChem CID42681248
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2ccc(F)cc2)CC1c1cccc(F)c1
InChIInChI=1S/C22H24F2N2O2/c1-14(2)11-25-21(27)20-13-26(22(28)15-6-8-17(23)9-7-15)12-19(20)16-4-3-5-18(24)10-16/h3-10,14,19-20H,11-13H2,1-2H3,(H,25,27)
InChIKeyBSCQLXVLHKNCAI-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
CID 13122
AR-M1000390
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N-ethyl-3-fluoro-3-(3-fluoro-4-(pyrrolidinylmethyl)phenyl)cyclobutanecarboxamide
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(S)-N-(cyclobutylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 44517677
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
(2R)-4-(2-Benzoyl-1,2-diazepan-1-YL)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 16739331
N-[3-(benzoylamino)propyl]benzamide
CID 255782
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CID 723531
ChiRYun
CID 389617

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (CID 42681248) is 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CN(C(=O)c2ccc(F)cc2)CC1c1cccc(F)c1.
What is the InChIKey of 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is BSCQLXVLHKNCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-14(2)11-25-21(27)20-13-26(22(28)15-6-8-17(23)9-7-15)12-19(20)16-4-3-5-18(24)10-16/h3-10,14,19-20H,11-13H2,1-2H3,(H,25,27).
What are the key properties of 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42681248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).