1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide

C19H19FN2O2 — CID 25239363

IUPAC1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN2C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C19H19FN2O2/c1-13-5-2-8-16(11-13)21-18(23)17-9-4-10-22(17)19(24)14-6-3-7-15(20)12-14/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,21,23)
InChIKeyBCKQEYFABWWEKZ-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.38
Rot. Bonds3

About 1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide

1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 25239363) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID25239363
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN2C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C19H19FN2O2/c1-13-5-2-8-16(11-13)21-18(23)17-9-4-10-22(17)19(24)14-6-3-7-15(20)12-14/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,21,23)
InChIKeyBCKQEYFABWWEKZ-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298
(2R)-N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 92666052
1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185
(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 51606138
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606152
(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51606131
N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579
(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92895034
(2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92668317
(2R)-1-[3-[(3-fluorobenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92895040

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide (CID 25239363) is 1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide is Cc1cccc(NC(=O)C2CCCN2C(=O)c2cccc(F)c2)c1.
What is the InChIKey of 1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is BCKQEYFABWWEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-5-2-8-16(11-13)21-18(23)17-9-4-10-22(17)19(24)14-6-3-7-15(20)12-14/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,21,23).
What are the key properties of 1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 25239363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).