2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide

C15H17Cl2NO — CID 874393

IUPAC2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2NO/c16-12-7-4-8-13(17)14(12)15(19)18-10-9-11-5-2-1-3-6-11/h4-5,7-8H,1-3,6,9-10H2,(H,18,19)
InChIKeyGLDOZZNSDYWICD-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.61
Rot. Bonds4

About 2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide

2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide (PubChem CID 874393) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
PubChem CID874393
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2NO/c16-12-7-4-8-13(17)14(12)15(19)18-10-9-11-5-2-1-3-6-11/h4-5,7-8H,1-3,6,9-10H2,(H,18,19)
InChIKeyGLDOZZNSDYWICD-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide
CID 108993986
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2483307
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide
CID 103842433
5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 23004471
2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486730
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide
CID 109095600
1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 60577294

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide (CID 874393) is 2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide is O=C(NCCC1=CCCCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The InChIKey is GLDOZZNSDYWICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c16-12-7-4-8-13(17)14(12)15(19)18-10-9-11-5-2-1-3-6-11/h4-5,7-8H,1-3,6,9-10H2,(H,18,19).
What are the key properties of 2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide has a molecular weight of 298.21 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide is sourced from PubChem (CID 874393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).