1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

C24H26ClN3O4 — CID 55625538

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H26ClN3O4/c1-32-21-11-8-17(25)15-19(21)24(31)28-14-4-5-20(28)22(29)26-18-9-6-16(7-10-18)23(30)27-12-2-3-13-27/h6-11,15,20H,2-5,12-14H2,1H3,(H,26,29)
InChIKeyKMEONMWTKUEJDB-UHFFFAOYSA-N
MW455.94 g/mol
LogP3.83
Rot. Bonds5

About 1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 55625538) has the molecular formula C24H26ClN3O4 and a molecular weight of 455.94 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID55625538
Molecular FormulaC24H26ClN3O4
Molecular Weight455.94 g/mol
Exact Mass455.16
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H26ClN3O4/c1-32-21-11-8-17(25)15-19(21)24(31)28-14-4-5-20(28)22(29)26-18-9-6-16(7-10-18)23(30)27-12-2-3-13-27/h6-11,15,20H,2-5,12-14H2,1H3,(H,26,29)
InChIKeyKMEONMWTKUEJDB-UHFFFAOYSA-N
XLogP3.83
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.94
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 55625292
N-(6-amino-3-pyridinyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119515458
1-(5-chloro-2-methoxybenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55623881
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
N-[4-(azepane-1-carbonyl)phenyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55887233
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 95159843
1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 47027021
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222
[(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone
CID 95279808
[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561047

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide (CID 55625538) is 1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is KMEONMWTKUEJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4/c1-32-21-11-8-17(25)15-19(21)24(31)28-14-4-5-20(28)22(29)26-18-9-6-16(7-10-18)23(30)27-12-2-3-13-27/h6-11,15,20H,2-5,12-14H2,1H3,(H,26,29).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 455.94 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55625538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).