5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide

C16H22ClNO3 — CID 31852388

IUPAC5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
SMILESO=C(NCCCOC1CCCCC1)c1cc(Cl)ccc1O
InChIInChI=1S/C16H22ClNO3/c17-12-7-8-15(19)14(11-12)16(20)18-9-4-10-21-13-5-2-1-3-6-13/h7-8,11,13,19H,1-6,9-10H2,(H,18,20)
InChIKeySRYOHRKBBHIJKA-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.51
Rot. Bonds6

About 5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide

5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide (PubChem CID 31852388) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
PubChem CID31852388
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
SMILESO=C(NCCCOC1CCCCC1)c1cc(Cl)ccc1O
InChIInChI=1S/C16H22ClNO3/c17-12-7-8-15(19)14(11-12)16(20)18-9-4-10-21-13-5-2-1-3-6-13/h7-8,11,13,19H,1-6,9-10H2,(H,18,20)
InChIKeySRYOHRKBBHIJKA-UHFFFAOYSA-N
XLogP3.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.51
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

2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
CID 103763503
4-chloro-N-(2-cyclopentyloxyethyl)-2-hydroxybenzamide
CID 55151514
2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
CID 100564682
2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide
CID 106501857
1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
CID 27870222
5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
CID 115297279
N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
CID 114307431
N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
CID 100608367
3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 38715612
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
CID 119693448

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide (CID 31852388) is 5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide is O=C(NCCCOC1CCCCC1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide?
The InChIKey is SRYOHRKBBHIJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c17-12-7-8-15(19)14(11-12)16(20)18-9-4-10-21-13-5-2-1-3-6-13/h7-8,11,13,19H,1-6,9-10H2,(H,18,20).
What are the key properties of 5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide?
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide has a molecular weight of 311.81 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide is sourced from PubChem (CID 31852388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).