N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide

C14H16ClNO2 — CID 64786368

IUPACN-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide
SMILESO=C(CC1=CCCCC1)Nc1ccc(O)cc1Cl
InChIInChI=1S/C14H16ClNO2/c15-12-9-11(17)6-7-13(12)16-14(18)8-10-4-2-1-3-5-10/h4,6-7,9,17H,1-3,5,8H2,(H,16,18)
InChIKeyNFDWAHADIMQEPU-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.87
Rot. Bonds3

About N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide

N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide (PubChem CID 64786368) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide
PubChem CID64786368
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide
SMILESO=C(CC1=CCCCC1)Nc1ccc(O)cc1Cl
InChIInChI=1S/C14H16ClNO2/c15-12-9-11(17)6-7-13(12)16-14(18)8-10-4-2-1-3-5-10/h4,6-7,9,17H,1-3,5,8H2,(H,16,18)
InChIKeyNFDWAHADIMQEPU-UHFFFAOYSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-5-methylbenzoate
CID 63564039
N-(2-chloro-5-sulfamoylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63563292
N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 113445578
4-[[2-(cyclohexen-1-yl)acetyl]amino]-3-fluorobenzoic acid
CID 63565174
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]benzoate
CID 63563667
2-(cyclohexen-1-yl)-N-(2-sulfamoylphenyl)acetamide
CID 63563480
N-(2-chloro-4-hydroxyphenyl)butanamide
CID 64789093
2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide
CID 63563087
N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63563839
2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 63563470
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64788324
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide (CID 64786368) is N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide is O=C(CC1=CCCCC1)Nc1ccc(O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide?
The InChIKey is NFDWAHADIMQEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-12-9-11(17)6-7-13(12)16-14(18)8-10-4-2-1-3-5-10/h4,6-7,9,17H,1-3,5,8H2,(H,16,18).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide?
N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide has a molecular weight of 265.74 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 64786368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).