1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide

C23H26Cl2N2O4 — CID 42826667

IUPAC1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(C2CN(C(=O)c3ccc(Cl)cc3Cl)CC2C(=O)NC(C)C)c1
InChIInChI=1S/C23H26Cl2N2O4/c1-13(2)26-22(28)19-12-27(23(29)16-7-5-14(24)9-20(16)25)11-18(19)17-10-15(30-3)6-8-21(17)31-4/h5-10,13,18-19H,11-12H2,1-4H3,(H,26,28)
InChIKeyGGVRYKNEFHFSIX-UHFFFAOYSA-N
MW465.38 g/mol
LogP4.39
Rot. Bonds6

About 1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide

1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 42826667) has the molecular formula C23H26Cl2N2O4 and a molecular weight of 465.38 g/mol. Its IUPAC name is 1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID42826667
Molecular FormulaC23H26Cl2N2O4
Molecular Weight465.38 g/mol
Exact Mass464.13
IUPAC Name1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(C2CN(C(=O)c3ccc(Cl)cc3Cl)CC2C(=O)NC(C)C)c1
InChIInChI=1S/C23H26Cl2N2O4/c1-13(2)26-22(28)19-12-27(23(29)16-7-5-14(24)9-20(16)25)11-18(19)17-10-15(30-3)6-8-21(17)31-4/h5-10,13,18-19H,11-12H2,1-4H3,(H,26,28)
InChIKeyGGVRYKNEFHFSIX-UHFFFAOYSA-N
XLogP4.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93150761
(3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150576
1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 42826663
(3R,4S)-1-benzoyl-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150584
(3R,4S)-1-(2,4-dichlorobenzoyl)-4-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93154757
(3R,4R)-4-(2,5-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150566
[(3S,4S)-1-(2,4-dichlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93154894
[1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42681573
1-(4-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42680739
1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42681179
(3R,4S)-1-(3-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93150772
(3S,4R)-4-(2,5-dimethoxyphenyl)-1-(2-fluorobenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93150493

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 42826667) is 1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is COc1ccc(OC)c(C2CN(C(=O)c3ccc(Cl)cc3Cl)CC2C(=O)NC(C)C)c1.
What is the InChIKey of 1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is GGVRYKNEFHFSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O4/c1-13(2)26-22(28)19-12-27(23(29)16-7-5-14(24)9-20(16)25)11-18(19)17-10-15(30-3)6-8-21(17)31-4/h5-10,13,18-19H,11-12H2,1-4H3,(H,26,28).
What are the key properties of 1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 465.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42826667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).