N-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C21H27ClN2O3 — CID 132526063

IUPACN-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESC=Cc1c(Cl)cc(OC)c(C)c1NC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C21H27ClN2O3/c1-4-16-17(22)11-18(27-3)13(2)20(16)23-21(26)14-10-19(25)24(12-14)15-8-6-5-7-9-15/h4,11,14-15H,1,5-10,12H2,2-3H3,(H,23,26)
InChIKeyVGGWBUYHDALNBE-UHFFFAOYSA-N
MW390.91 g/mol
LogP4.42
Rot. Bonds5

About N-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

N-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 132526063) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is N-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID132526063
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC NameN-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESC=Cc1c(Cl)cc(OC)c(C)c1NC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C21H27ClN2O3/c1-4-16-17(22)11-18(27-3)13(2)20(16)23-21(26)14-10-19(25)24(12-14)15-8-6-5-7-9-15/h4,11,14-15H,1,5-10,12H2,2-3H3,(H,23,26)
InChIKeyVGGWBUYHDALNBE-UHFFFAOYSA-N
XLogP4.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185580
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
N-(3-chloro-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081380
(3S)-N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 6920596
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2927358
1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687575
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 47063320
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
1-cyclopentyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081334
methyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 2856288
(3S)-1-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 40636624
methyl 4-[[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40636618

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 132526063) is N-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is C=Cc1c(Cl)cc(OC)c(C)c1NC(=O)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VGGWBUYHDALNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-4-16-17(22)11-18(27-3)13(2)20(16)23-21(26)14-10-19(25)24(12-14)15-8-6-5-7-9-15/h4,11,14-15H,1,5-10,12H2,2-3H3,(H,23,26).
What are the key properties of N-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
N-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 390.91 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-ethenyl-5-methoxy-6-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 132526063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).