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

C23H27ClN2O4 — CID 42681179

IUPAC1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1cccc(C2CN(C(=O)c3ccccc3Cl)CC2C(=O)NC(C)C)c1OC
InChIInChI=1S/C23H27ClN2O4/c1-14(2)25-22(27)18-13-26(23(28)16-8-5-6-10-19(16)24)12-17(18)15-9-7-11-20(29-3)21(15)30-4/h5-11,14,17-18H,12-13H2,1-4H3,(H,25,27)
InChIKeySVXCWLSPMUNVPS-UHFFFAOYSA-N
MW430.93 g/mol
LogP3.74
Rot. Bonds6

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

1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 42681179) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID42681179
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC Name1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1cccc(C2CN(C(=O)c3ccccc3Cl)CC2C(=O)NC(C)C)c1OC
InChIInChI=1S/C23H27ClN2O4/c1-14(2)25-22(27)18-13-26(23(28)16-8-5-6-10-19(16)24)12-17(18)15-9-7-11-20(29-3)21(15)30-4/h5-11,14,17-18H,12-13H2,1-4H3,(H,25,27)
InChIKeySVXCWLSPMUNVPS-UHFFFAOYSA-N
XLogP3.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 93152288
4-(2,3-dimethoxyphenyl)-1-(2-methylbenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42681155
1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42826667
N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide
CID 42681444
(3S,4S)-1-(3-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93152191
(3R,4R)-4-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide
CID 93152900
4-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide
CID 42681431
(3S,4R)-4-(2,3-dimethoxyphenyl)-1-N-propan-2-yl-3-N-(pyridin-2-ylmethyl)pyrrolidine-1,3-dicarboxamide
CID 93152858
(3S,4S)-4-(2,3-dimethoxyphenyl)-1-N-propan-2-yl-3-N-(pyridin-2-ylmethyl)pyrrolidine-1,3-dicarboxamide
CID 93152857
(3S,4R)-1-benzoyl-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93149858
(3S,4S)-1-benzoyl-N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93152374
4-(2,3-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42681149

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 42681179) is 1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is COc1cccc(C2CN(C(=O)c3ccccc3Cl)CC2C(=O)NC(C)C)c1OC.
What is the InChIKey of 1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is SVXCWLSPMUNVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-14(2)25-22(27)18-13-26(23(28)16-8-5-6-10-19(16)24)12-17(18)15-9-7-11-20(29-3)21(15)30-4/h5-11,14,17-18H,12-13H2,1-4H3,(H,25,27).
What are the key properties of 1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 430.93 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-4-(2,3-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42681179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).