(2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide

C27H26Cl2N2O2 — CID 134400612

IUPAC(2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@]2(C)CCCN2Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C27H26Cl2N2O2/c1-18-9-11-21(25(32)20-7-4-3-5-8-20)24(15-18)30-26(33)27(2)13-6-14-31(27)17-19-10-12-22(28)23(29)16-19/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,30,33)/t27-/m1/s1
InChIKeyWQRHWGBHLLNURB-HHHXNRCGSA-N
MW481.42 g/mol
LogP6.53
Rot. Bonds6

About (2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide

(2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 134400612) has the molecular formula C27H26Cl2N2O2 and a molecular weight of 481.42 g/mol. Its IUPAC name is (2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide
PubChem CID134400612
Molecular FormulaC27H26Cl2N2O2
Molecular Weight481.42 g/mol
Exact Mass480.14
IUPAC Name(2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@]2(C)CCCN2Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C27H26Cl2N2O2/c1-18-9-11-21(25(32)20-7-4-3-5-8-20)24(15-18)30-26(33)27(2)13-6-14-31(27)17-19-10-12-22(28)23(29)16-19/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,30,33)/t27-/m1/s1
InChIKeyWQRHWGBHLLNURB-HHHXNRCGSA-N
XLogP6.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 134400602
(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 134400641
(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 134400599
(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-ethyl-3H-pyrrole-2-carboxamide
CID 152539233
2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 113431089
lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate
CID 159928526
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137019
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 63219968
N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 1483036
N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide
CID 153094059
N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
CID 1360092

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide (CID 134400612) is (2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide is Cc1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@]2(C)CCCN2Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of (2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is WQRHWGBHLLNURB-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H26Cl2N2O2/c1-18-9-11-21(25(32)20-7-4-3-5-8-20)24(15-18)30-26(33)27(2)13-6-14-31(27)17-19-10-12-22(28)23(29)16-19/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,30,33)/t27-/m1/s1.
What are the key properties of (2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
(2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 481.42 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134400612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).