1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide

C21H23ClN2O3 — CID 47027021

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C21H23ClN2O3/c1-13-6-7-14(2)17(11-13)23-20(25)18-5-4-10-24(18)21(26)16-12-15(22)8-9-19(16)27-3/h6-9,11-12,18H,4-5,10H2,1-3H3,(H,23,25)
InChIKeyZPAPDPVOUMHHJC-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.21
Rot. Bonds4

About 1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 47027021) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide
PubChem CID47027021
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C21H23ClN2O3/c1-13-6-7-14(2)17(11-13)23-20(25)18-5-4-10-24(18)21(26)16-12-15(22)8-9-19(16)27-3/h6-9,11-12,18H,4-5,10H2,1-3H3,(H,23,25)
InChIKeyZPAPDPVOUMHHJC-UHFFFAOYSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 55625292
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
1-(5-chloro-2-methoxybenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55623881
1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 55625538
N-(6-amino-3-pyridinyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119515458
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
N-(3-aminobutyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119496267
(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 95271430
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 95159843
tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide (CID 47027021) is 1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is ZPAPDPVOUMHHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-13-6-7-14(2)17(11-13)23-20(25)18-5-4-10-24(18)21(26)16-12-15(22)8-9-19(16)27-3/h6-9,11-12,18H,4-5,10H2,1-3H3,(H,23,25).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47027021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).