2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide

C15H20ClNO3 — CID 106501857

IUPAC2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide
SMILESO=C(NCCOC1CCCCC1)c1cc(O)ccc1Cl
InChIInChI=1S/C15H20ClNO3/c16-14-7-6-11(18)10-13(14)15(19)17-8-9-20-12-4-2-1-3-5-12/h6-7,10,12,18H,1-5,8-9H2,(H,17,19)
InChIKeyCASNRGAWHVWCPG-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.12
Rot. Bonds5

About 2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide

2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide (PubChem CID 106501857) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide
PubChem CID106501857
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide
SMILESO=C(NCCOC1CCCCC1)c1cc(O)ccc1Cl
InChIInChI=1S/C15H20ClNO3/c16-14-7-6-11(18)10-13(14)15(19)17-8-9-20-12-4-2-1-3-5-12/h6-7,10,12,18H,1-5,8-9H2,(H,17,19)
InChIKeyCASNRGAWHVWCPG-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-cyclopentyloxyethyl)-2-hydroxybenzamide
CID 55151514
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
CID 82833373
3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 112575924
3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 103995768
2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide
CID 61150115
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide
CID 63833449
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide?
The IUPAC name of 2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide (CID 106501857) is 2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide is O=C(NCCOC1CCCCC1)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide?
The InChIKey is CASNRGAWHVWCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c16-14-7-6-11(18)10-13(14)15(19)17-8-9-20-12-4-2-1-3-5-12/h6-7,10,12,18H,1-5,8-9H2,(H,17,19).
What are the key properties of 2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide?
2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide has a molecular weight of 297.78 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide is sourced from PubChem (CID 106501857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).