N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide

C20H21FN2O2 — CID 46745579

IUPACN-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCCN2C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H21FN2O2/c1-13-10-14(2)12-17(11-13)22-19(24)18-4-3-9-23(18)20(25)15-5-7-16(21)8-6-15/h5-8,10-12,18H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyKWCQPADSAVXKHB-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.69
Rot. Bonds3

About N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide

N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 46745579) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
PubChem CID46745579
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCCN2C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H21FN2O2/c1-13-10-14(2)12-17(11-13)22-19(24)18-4-3-9-23(18)20(25)15-5-7-16(21)8-6-15/h5-8,10-12,18H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyKWCQPADSAVXKHB-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445811
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
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 167748566
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 46756299
(2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92664975
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
ethyl 2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-2-oxoacetate
CID 54117354

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide (CID 46745579) is N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide is Cc1cc(C)cc(NC(=O)C2CCCN2C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is KWCQPADSAVXKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-10-14(2)12-17(11-13)22-19(24)18-4-3-9-23(18)20(25)15-5-7-16(21)8-6-15/h5-8,10-12,18H,3-4,9H2,1-2H3,(H,22,24).
What are the key properties of N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide?
N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46745579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).