N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide

C17H23ClN2O4 — CID 108530972

IUPACN'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide
SMILESCOc1cc(NC(=O)C(=O)NC2CCCCCC2)c(OC)cc1Cl
InChIInChI=1S/C17H23ClN2O4/c1-23-14-10-13(15(24-2)9-12(14)18)20-17(22)16(21)19-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFIGQSWTUJNXBOB-UHFFFAOYSA-N
MW354.83 g/mol
LogP3.13
Rot. Bonds4

About N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide

N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide (PubChem CID 108530972) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide.

Molecular Properties

Compound NameN'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide
PubChem CID108530972
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC NameN'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide
SMILESCOc1cc(NC(=O)C(=O)NC2CCCCCC2)c(OC)cc1Cl
InChIInChI=1S/C17H23ClN2O4/c1-23-14-10-13(15(24-2)9-12(14)18)20-17(22)16(21)19-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFIGQSWTUJNXBOB-UHFFFAOYSA-N
XLogP3.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide
CID 113001569
N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108506924
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N'-(5-chloro-2-methoxyphenyl)-N-cyclopropyloxamide
CID 2194402
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108532290
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526291
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514378
N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108984057
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108532288
N'-(2-chlorophenyl)-N-cyclohexyloxamide
CID 7541659
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109205055

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide?
The IUPAC name of N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide (CID 108530972) is N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide.
What is the SMILES notation for N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide?
The canonical SMILES for N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide is COc1cc(NC(=O)C(=O)NC2CCCCCC2)c(OC)cc1Cl.
What is the InChIKey of N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide?
The InChIKey is FIGQSWTUJNXBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-23-14-10-13(15(24-2)9-12(14)18)20-17(22)16(21)19-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide?
N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide has a molecular weight of 354.83 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide is sourced from PubChem (CID 108530972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).