N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide

C14H18ClNO2 — CID 102261285

IUPACN-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(O)cc2Cl)CCCCC1
InChIInChI=1S/C14H18ClNO2/c1-14(7-3-2-4-8-14)13(18)16-12-6-5-10(17)9-11(12)15/h5-6,9,17H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyKTVOBNWCKNYRSA-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.95
Rot. Bonds2

About N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide

N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 102261285) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
PubChem CID102261285
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(O)cc2Cl)CCCCC1
InChIInChI=1S/C14H18ClNO2/c1-14(7-3-2-4-8-14)13(18)16-12-6-5-10(17)9-11(12)15/h5-6,9,17H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyKTVOBNWCKNYRSA-UHFFFAOYSA-N
XLogP3.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
CID 141000204
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826163
5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826165
N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
CID 56695193
3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid
CID 107046344
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine
CID 174612601
methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate
CID 112729549
S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 1-methylcyclohexane-1-carbothioate
CID 22956219
N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 106829495
N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827400
1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide (CID 102261285) is N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)Nc2ccc(O)cc2Cl)CCCCC1.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is KTVOBNWCKNYRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(7-3-2-4-8-14)13(18)16-12-6-5-10(17)9-11(12)15/h5-6,9,17H,2-4,7-8H2,1H3,(H,16,18).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide?
N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 3.95, 2 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)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 102261285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).