N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide

C28H33ClN2O2 — CID 4575082

IUPACN-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide
SMILESO=C(c1ccccc1)N(C=C(Cl)N(C(=O)c1ccccc1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H33ClN2O2/c29-26(31(25-19-11-4-12-20-25)28(33)23-15-7-2-8-16-23)21-30(24-17-9-3-10-18-24)27(32)22-13-5-1-6-14-22/h1-2,5-8,13-16,21,24-25H,3-4,9-12,17-20H2
InChIKeySDDAYMJGCHBFOT-UHFFFAOYSA-N
MW465.04 g/mol
LogP6.97
Rot. Bonds6

About N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide

N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide (PubChem CID 4575082) has the molecular formula C28H33ClN2O2 and a molecular weight of 465.04 g/mol. Its IUPAC name is N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide.

Molecular Properties

Compound NameN-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide
PubChem CID4575082
Molecular FormulaC28H33ClN2O2
Molecular Weight465.04 g/mol
Exact Mass464.22
IUPAC NameN-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide
SMILESO=C(c1ccccc1)N(C=C(Cl)N(C(=O)c1ccccc1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H33ClN2O2/c29-26(31(25-19-11-4-12-20-25)28(33)23-15-7-2-8-16-23)21-30(24-17-9-3-10-18-24)27(32)22-13-5-1-6-14-22/h1-2,5-8,13-16,21,24-25H,3-4,9-12,17-20H2
InChIKeySDDAYMJGCHBFOT-UHFFFAOYSA-N
XLogP6.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.04
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide?
The IUPAC name of N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide (CID 4575082) is N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide.
What is the SMILES notation for N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide?
The canonical SMILES for N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide is O=C(c1ccccc1)N(C=C(Cl)N(C(=O)c1ccccc1)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide?
The InChIKey is SDDAYMJGCHBFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN2O2/c29-26(31(25-19-11-4-12-20-25)28(33)23-15-7-2-8-16-23)21-30(24-17-9-3-10-18-24)27(32)22-13-5-1-6-14-22/h1-2,5-8,13-16,21,24-25H,3-4,9-12,17-20H2.
What are the key properties of N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide?
N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide has a molecular weight of 465.04 g/mol, XLogP of 6.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide is sourced from PubChem (CID 4575082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).