N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide

C19H19FN2O2 — CID 46747298

IUPACN-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(C(=O)N2CCCC2C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O2/c1-13-4-2-5-14(12-13)19(24)22-11-3-6-17(22)18(23)21-16-9-7-15(20)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,21,23)
InChIKeyHHBIOWVHWHAGLR-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.38
Rot. Bonds3

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

N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 46747298) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID46747298
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(C(=O)N2CCCC2C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O2/c1-13-4-2-5-14(12-13)19(24)22-11-3-6-17(22)18(23)21-16-9-7-15(20)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,21,23)
InChIKeyHHBIOWVHWHAGLR-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)-N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 92666052
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185
(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 51606138
(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445811
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357636
(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606152
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide (CID 46747298) is N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide is Cc1cccc(C(=O)N2CCCC2C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is HHBIOWVHWHAGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-4-2-5-14(12-13)19(24)22-11-3-6-17(22)18(23)21-16-9-7-15(20)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,21,23).
What are the key properties of N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide?
N-(4-fluorophenyl)-1-(3-methylbenzoyl)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 N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46747298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).