(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide

C28H29ClN2O4 — CID 134400602

IUPAC(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CN2CCC[C@]2(C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C28H29ClN2O4/c1-28(14-7-15-31(28)18-19-10-13-24(34-2)25(16-19)35-3)27(33)30-23-12-11-21(29)17-22(23)26(32)20-8-5-4-6-9-20/h4-6,8-13,16-17H,7,14-15,18H2,1-3H3,(H,30,33)/t28-/m1/s1
InChIKeyALBOTOWIQPLFPR-MUUNZHRXSA-N
MW493.00 g/mol
LogP5.58
Rot. Bonds8

About (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide

(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 134400602) has the molecular formula C28H29ClN2O4 and a molecular weight of 493.00 g/mol. Its IUPAC name is (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
PubChem CID134400602
Molecular FormulaC28H29ClN2O4
Molecular Weight493.00 g/mol
Exact Mass492.18
IUPAC Name(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CN2CCC[C@]2(C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C28H29ClN2O4/c1-28(14-7-15-31(28)18-19-10-13-24(34-2)25(16-19)35-3)27(33)30-23-12-11-21(29)17-22(23)26(32)20-8-5-4-6-9-20/h4-6,8-13,16-17H,7,14-15,18H2,1-3H3,(H,30,33)/t28-/m1/s1
InChIKeyALBOTOWIQPLFPR-MUUNZHRXSA-N
XLogP5.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.00
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 134400641
(2R)-N-(2-benzoyl-5-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 134400612
(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 134400599
(3S)-3-[[[5-chloro-2-[[(2R)-1-ethyl-2-methylpyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]-3-(4-methoxyphenyl)propanoic acid
CID 153418958
(2S)-2-[[[[5-chloro-2-[[(2R)-1-ethyl-2-methylpyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]methyl]-3-(4-fluorophenyl)propanoic acid
CID 153419000
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide
CID 134400651
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-ethyl-3H-pyrrole-2-carboxamide
CID 152539233
(3R)-3-[[[5-chloro-2-[[(2R)-1-ethyl-2-methylpyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]-4-naphthalen-1-ylbutanoic acid
CID 153418966
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide (CID 134400602) is (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide is COc1ccc(CN2CCC[C@]2(C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC.
What is the InChIKey of (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is ALBOTOWIQPLFPR-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H29ClN2O4/c1-28(14-7-15-31(28)18-19-10-13-24(34-2)25(16-19)35-3)27(33)30-23-12-11-21(29)17-22(23)26(32)20-8-5-4-6-9-20/h4-6,8-13,16-17H,7,14-15,18H2,1-3H3,(H,30,33)/t28-/m1/s1.
What are the key properties of (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 493.00 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134400602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).