N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C18H23ClN2O3 — CID 2986544

IUPACN-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C18H23ClN2O3/c1-24-16-8-7-13(19)10-15(16)20-18(23)12-9-17(22)21(11-12)14-5-3-2-4-6-14/h7-8,10,12,14H,2-6,9,11H2,1H3,(H,20,23)
InChIKeyGUUBBZUBDARKET-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.47
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 2986544) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID2986544
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C18H23ClN2O3/c1-24-16-8-7-13(19)10-15(16)20-18(23)12-9-17(22)21(11-12)14-5-3-2-4-6-14/h7-8,10,12,14H,2-6,9,11H2,1H3,(H,20,23)
InChIKeyGUUBBZUBDARKET-UHFFFAOYSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide
CID 98791
N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
CID 2386166
N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpropanamide
CID 567615
N-(5-chloro-2-methoxyphenyl)-N'-(1-propyl-4-piperidinyl)urea
CID 971845
N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3153910
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3302526
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 4827132
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 4875488
2-(5-chloro-2-oxobenzo[d]oxazol-3(2H)-yl)-N-cyclohexylacetamide
CID 16456960
N-[2-(4-Chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 580158
N-(2,3-dichlorophenyl)[5-oxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]carboxamide
CID 4202412
N-(5-chloro-2-methoxyphenyl)-N'-cyclohexylurea
CID 742626

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 2986544) is N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GUUBBZUBDARKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-24-16-8-7-13(19)10-15(16)20-18(23)12-9-17(22)21(11-12)14-5-3-2-4-6-14/h7-8,10,12,14H,2-6,9,11H2,1H3,(H,20,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2986544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).