(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide

C26H26N2O2 — CID 92561151

IUPAC(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C26H26N2O2/c1-19-8-7-12-21(16-19)23-13-6-5-11-22(23)17-26(25(27)30)14-15-28(18-26)24(29)20-9-3-2-4-10-20/h2-13,16H,14-15,17-18H2,1H3,(H2,27,30)/t26-/m0/s1
InChIKeyLKMKVVSBZUQVJE-SANMLTNESA-N
MW398.51 g/mol
LogP4.22
Rot. Bonds5

About (3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide

(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 92561151) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID92561151
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C26H26N2O2/c1-19-8-7-12-21(16-19)23-13-6-5-11-22(23)17-26(25(27)30)14-15-28(18-26)24(29)20-9-3-2-4-10-20/h2-13,16H,14-15,17-18H2,1H3,(H2,27,30)/t26-/m0/s1
InChIKeyLKMKVVSBZUQVJE-SANMLTNESA-N
XLogP4.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzoyl-N-methyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561153
1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230966
1-(3,3-dimethylbutanoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230972
3-[[2-(3-methylphenyl)phenyl]methyl]-N-propyl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110232771
(3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92575766
1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 129456727
1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110243797
3-[[2-(3-methylphenyl)phenyl]methyl]-N-propyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110232770
N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 110230945
(3R)-1-butanoyl-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92586237
(3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92601435
1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230948

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 92561151) is (3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide is Cc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)c3ccccc3)C2)c1.
What is the InChIKey of (3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is LKMKVVSBZUQVJE-SANMLTNESA-N. The full InChI is InChI=1S/C26H26N2O2/c1-19-8-7-12-21(16-19)23-13-6-5-11-22(23)17-26(25(27)30)14-15-28(18-26)24(29)20-9-3-2-4-10-20/h2-13,16H,14-15,17-18H2,1H3,(H2,27,30)/t26-/m0/s1.
What are the key properties of (3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92561151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).