2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide

C19H20N2O2 — CID 141321340

IUPAC2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide
SMILESCc1ccc(C(=O)N2CCCC2c2ccccc2)cc1C(N)=O
InChIInChI=1S/C19H20N2O2/c1-13-9-10-15(12-16(13)18(20)22)19(23)21-11-5-8-17(21)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3,(H2,20,22)
InChIKeyBOQPXDIZNLEJEC-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.07
Rot. Bonds3

About 2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide

2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide (PubChem CID 141321340) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide
PubChem CID141321340
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide
SMILESCc1ccc(C(=O)N2CCCC2c2ccccc2)cc1C(N)=O
InChIInChI=1S/C19H20N2O2/c1-13-9-10-15(12-16(13)18(20)22)19(23)21-11-5-8-17(21)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3,(H2,20,22)
InChIKeyBOQPXDIZNLEJEC-UHFFFAOYSA-N
XLogP3.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide
CID 56545893
N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55495250
(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43575411
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228
(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 55731293
2-(methylsulfonylmethylamino)-5-(2-phenylpyrrolidine-1-carbonyl)benzoic acid
CID 66614306
(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride
CID 119737788
[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 41265479
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927
(5-amino-2-methyl-3-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61039723
(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide?
The IUPAC name of 2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide (CID 141321340) is 2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for 2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for 2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide is Cc1ccc(C(=O)N2CCCC2c2ccccc2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide?
The InChIKey is BOQPXDIZNLEJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-9-10-15(12-16(13)18(20)22)19(23)21-11-5-8-17(21)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3,(H2,20,22).
What are the key properties of 2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide?
2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide has a molecular weight of 308.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 141321340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).