2-chloro-5-(2-cyclohexylethenyl)benzamide

C15H18ClNO — CID 171134570

IUPAC2-chloro-5-(2-cyclohexylethenyl)benzamide
SMILESNC(=O)c1cc(C=CC2CCCCC2)ccc1Cl
InChIInChI=1S/C15H18ClNO/c16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,17,18)
InChIKeyYJGGAXSZLWBHNW-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.03
Rot. Bonds3

About 2-chloro-5-(2-cyclohexylethenyl)benzamide

2-chloro-5-(2-cyclohexylethenyl)benzamide (PubChem CID 171134570) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-5-(2-cyclohexylethenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(2-cyclohexylethenyl)benzamide
PubChem CID171134570
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-chloro-5-(2-cyclohexylethenyl)benzamide
SMILESNC(=O)c1cc(C=CC2CCCCC2)ccc1Cl
InChIInChI=1S/C15H18ClNO/c16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,17,18)
InChIKeyYJGGAXSZLWBHNW-UHFFFAOYSA-N
XLogP4.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-cyclohexylethenyl)benzamide?
The IUPAC name of 2-chloro-5-(2-cyclohexylethenyl)benzamide (CID 171134570) is 2-chloro-5-(2-cyclohexylethenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(2-cyclohexylethenyl)benzamide?
The canonical SMILES for 2-chloro-5-(2-cyclohexylethenyl)benzamide is NC(=O)c1cc(C=CC2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-cyclohexylethenyl)benzamide?
The InChIKey is YJGGAXSZLWBHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,17,18).
What are the key properties of 2-chloro-5-(2-cyclohexylethenyl)benzamide?
2-chloro-5-(2-cyclohexylethenyl)benzamide has a molecular weight of 263.77 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-cyclohexylethenyl)benzamide is sourced from PubChem (CID 171134570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).