N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C21H23ClN2O4 — CID 86946447

IUPACN-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)N(C)c3ccc(C)c(Cl)c3)CC2=O)cc1OC
InChIInChI=1S/C21H23ClN2O4/c1-13-5-6-15(10-17(13)22)23(2)21(26)14-9-20(25)24(12-14)16-7-8-18(27-3)19(11-16)28-4/h5-8,10-11,14H,9,12H2,1-4H3
InChIKeyXUVDJZWTZYUFPM-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.68
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 86946447) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID86946447
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)N(C)c3ccc(C)c(Cl)c3)CC2=O)cc1OC
InChIInChI=1S/C21H23ClN2O4/c1-13-5-6-15(10-17(13)22)23(2)21(26)14-9-20(25)24(12-14)16-7-8-18(27-3)19(11-16)28-4/h5-8,10-11,14H,9,12H2,1-4H3
InChIKeyXUVDJZWTZYUFPM-UHFFFAOYSA-N
XLogP3.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569608
(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075786
N-cyclopropyl-1-(3,4-dimethoxyphenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 55594967
1-(3-chloro-4-methylphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 3153872
1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17225348
1-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 54964606
1-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573632
(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501
3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid
CID 119191735
methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9351959
1-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134060422

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 86946447) is N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)N(C)c3ccc(C)c(Cl)c3)CC2=O)cc1OC.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XUVDJZWTZYUFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-13-5-6-15(10-17(13)22)23(2)21(26)14-9-20(25)24(12-14)16-7-8-18(27-3)19(11-16)28-4/h5-8,10-11,14H,9,12H2,1-4H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86946447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).