4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide

C18H23ClN2O3 — CID 109144964

IUPAC4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)Nc2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C18H23ClN2O3/c1-3-10-20-17(22)12-4-6-13(7-5-12)18(23)21-14-8-9-16(24-2)15(19)11-14/h3,8-9,11-13H,1,4-7,10H2,2H3,(H,20,22)(H,21,23)
InChIKeyAIHKTYYXYGYZEE-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.40
Rot. Bonds6

About 4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide

4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide (PubChem CID 109144964) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
PubChem CID109144964
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)Nc2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C18H23ClN2O3/c1-3-10-20-17(22)12-4-6-13(7-5-12)18(23)21-14-8-9-16(24-2)15(19)11-14/h3,8-9,11-13H,1,4-7,10H2,2H3,(H,20,22)(H,21,23)
InChIKeyAIHKTYYXYGYZEE-UHFFFAOYSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928597
4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 18283208
N-(3-chloro-4-methoxyphenyl)thiane-4-carboxamide
CID 110859512
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide
CID 155823143
N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide
CID 110859499
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109145001
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 4007338
N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide
CID 110859516

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide (CID 109144964) is 4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide is C=CCNC(=O)C1CCC(C(=O)Nc2ccc(OC)c(Cl)c2)CC1.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
The InChIKey is AIHKTYYXYGYZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-3-10-20-17(22)12-4-6-13(7-5-12)18(23)21-14-8-9-16(24-2)15(19)11-14/h3,8-9,11-13H,1,4-7,10H2,2H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide has a molecular weight of 350.85 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).