2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide

C15H18ClNO — CID 835623

IUPAC2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccccc1Cl
InChIInChI=1S/C15H18ClNO/c16-14-9-5-4-8-13(14)15(18)17-11-10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,17,18)
InChIKeyBGHRGPVOJRIJOQ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.96
Rot. Bonds4

About 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide (PubChem CID 835623) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
PubChem CID835623
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccccc1Cl
InChIInChI=1S/C15H18ClNO/c16-14-9-5-4-8-13(14)15(18)17-11-10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,17,18)
InChIKeyBGHRGPVOJRIJOQ-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.96
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

2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053069
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477025
2-chloro-N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]-4-nitrobenzamide
CID 29239537
5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 107183912
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 114153831
3-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027251
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide (CID 835623) is 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide is O=C(NCCC1=CCCCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The InChIKey is BGHRGPVOJRIJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c16-14-9-5-4-8-13(14)15(18)17-11-10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,17,18).
What are the key properties of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide has a molecular weight of 263.77 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide is sourced from PubChem (CID 835623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).