(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide

C20H22FN3O2 — CID 1445811

IUPAC(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H22FN3O2/c1-13-10-14(2)12-17(11-13)22-19(25)18-4-3-9-24(18)20(26)23-16-7-5-15(21)6-8-16/h5-8,10-12,18H,3-4,9H2,1-2H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyUOQMMSKIEULLSM-GOSISDBHSA-N
MW355.41 g/mol
LogP4.08
Rot. Bonds3

About (2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide

(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1445811) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is (2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1445811
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H22FN3O2/c1-13-10-14(2)12-17(11-13)22-19(25)18-4-3-9-24(18)20(26)23-16-7-5-15(21)6-8-16/h5-8,10-12,18H,3-4,9H2,1-2H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyUOQMMSKIEULLSM-GOSISDBHSA-N
XLogP4.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3219650
(2R)-2-N-(3,4-dimethylphenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51684738
(2S)-1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 40639332
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298
(2R)-N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 92666052
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(2R)-1-N-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468552
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150694

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (CID 1445811) is (2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide is Cc1cc(C)cc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of (2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is UOQMMSKIEULLSM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-13-10-14(2)12-17(11-13)22-19(25)18-4-3-9-24(18)20(26)23-16-7-5-15(21)6-8-16/h5-8,10-12,18H,3-4,9H2,1-2H3,(H,22,25)(H,23,26)/t18-/m1/s1.
What are the key properties of (2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 355.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1445811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).