(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide

C23H27ClN2O4 — CID 95278534

IUPAC(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C23H27ClN2O4/c1-4-30-20-10-6-5-8-16(20)15-25(2)23(28)19-9-7-13-26(19)22(27)18-14-17(24)11-12-21(18)29-3/h5-6,8,10-12,14,19H,4,7,9,13,15H2,1-3H3/t19-/m1/s1
InChIKeyHTJYVBFWRBNQMI-LJQANCHMSA-N
MW430.93 g/mol
LogP4.01
Rot. Bonds7

About (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide

(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 95278534) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID95278534
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC Name(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C23H27ClN2O4/c1-4-30-20-10-6-5-8-16(20)15-25(2)23(28)19-9-7-13-26(19)22(27)18-14-17(24)11-12-21(18)29-3/h5-6,8,10-12,14,19H,4,7,9,13,15H2,1-3H3/t19-/m1/s1
InChIKeyHTJYVBFWRBNQMI-LJQANCHMSA-N
XLogP4.01
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 55654348
3-[[1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 119232500
1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 55625468
benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 1270397
(2R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide
CID 99087998
1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 42939595
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
N-(3-aminobutyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119496267
1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 55343704
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 95278534) is (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide is CCOc1ccccc1CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is HTJYVBFWRBNQMI-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-4-30-20-10-6-5-8-16(20)15-25(2)23(28)19-9-7-13-26(19)22(27)18-14-17(24)11-12-21(18)29-3/h5-6,8,10-12,14,19H,4,7,9,13,15H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 430.93 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95278534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).