1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide

C20H22N2O2 — CID 46744827

IUPAC1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CCCN1C(=O)c1ccccc1C
InChIInChI=1S/C20H22N2O2/c1-14-8-3-5-10-16(14)20(24)22-13-7-12-18(22)19(23)21-17-11-6-4-9-15(17)2/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,21,23)
InChIKeyNCANLXRYBMSMBA-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.55
Rot. Bonds3

About 1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide

1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 46744827) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID46744827
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CCCN1C(=O)c1ccccc1C
InChIInChI=1S/C20H22N2O2/c1-14-8-3-5-10-16(14)20(24)22-13-7-12-18(22)19(23)21-17-11-6-4-9-15(17)2/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,21,23)
InChIKeyNCANLXRYBMSMBA-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230177
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
(2R)-2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051482
2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015935
1-N-(3-acetylphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 651368
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692
1-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219782
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944
2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015936
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide
CID 61378639

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide (CID 46744827) is 1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide is Cc1ccccc1NC(=O)C1CCCN1C(=O)c1ccccc1C.
What is the InChIKey of 1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is NCANLXRYBMSMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-8-3-5-10-16(14)20(24)22-13-7-12-18(22)19(23)21-17-11-6-4-9-15(17)2/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,21,23).
What are the key properties of 1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46744827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).