1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C23H25ClN2O4 — CID 43037306

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(OC)c(N2CC(C(=O)NC(c3ccccc3)C3CC3)CC2=O)cc1Cl
InChIInChI=1S/C23H25ClN2O4/c1-29-19-12-20(30-2)18(11-17(19)24)26-13-16(10-21(26)27)23(28)25-22(15-8-9-15)14-6-4-3-5-7-14/h3-7,11-12,15-16,22H,8-10,13H2,1-2H3,(H,25,28)
InChIKeyCNYRTOOQKJEARI-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.98
Rot. Bonds7

About 1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43037306) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID43037306
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(OC)c(N2CC(C(=O)NC(c3ccccc3)C3CC3)CC2=O)cc1Cl
InChIInChI=1S/C23H25ClN2O4/c1-29-19-12-20(30-2)18(11-17(19)24)26-13-16(10-21(26)27)23(28)25-22(15-8-9-15)14-6-4-3-5-7-14/h3-7,11-12,15-16,22H,8-10,13H2,1-2H3,(H,25,28)
InChIKeyCNYRTOOQKJEARI-UHFFFAOYSA-N
XLogP3.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-phenylsulfanylethyl)pyrrolidine-3-carboxamide
CID 26820068
(3S)-N-benzhydryl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965651
ethyl 2-[[1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoate
CID 71844596
(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51726983
1-(5-chloro-2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42923281
(3S)-N-[(1R)-1-cyclopropylethyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30838843
(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26268983
1-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191493
N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42944494
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 26360848
N-(3-chloro-4-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185946

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 43037306) is 1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1cc(OC)c(N2CC(C(=O)NC(c3ccccc3)C3CC3)CC2=O)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CNYRTOOQKJEARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-29-19-12-20(30-2)18(11-17(19)24)26-13-16(10-21(26)27)23(28)25-22(15-8-9-15)14-6-4-3-5-7-14/h3-7,11-12,15-16,22H,8-10,13H2,1-2H3,(H,25,28).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43037306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).