N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine

C20H24Cl2N2O3 — CID 174612601

IUPACN-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine
SMILESCC1(C(=O)Nc2ccc(O)c(Cl)c2Cl)CCCCC1.ONc1ccccc1
InChIInChI=1S/C14H17Cl2NO2.C6H7NO/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15;8-7-6-4-2-1-3-5-6/h5-6,18H,2-4,7-8H2,1H3,(H,17,19);1-5,7-8H
InChIKeyFJXRZGWQKVWLLC-UHFFFAOYSA-N
MW411.33 g/mol
LogP6.10
Rot. Bonds3

About N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine

N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine (PubChem CID 174612601) has the molecular formula C20H24Cl2N2O3 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine.

Molecular Properties

Compound NameN-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine
PubChem CID174612601
Molecular FormulaC20H24Cl2N2O3
Molecular Weight411.33 g/mol
Exact Mass410.12
IUPAC NameN-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine
SMILESCC1(C(=O)Nc2ccc(O)c(Cl)c2Cl)CCCCC1.ONc1ccccc1
InChIInChI=1S/C14H17Cl2NO2.C6H7NO/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15;8-7-6-4-2-1-3-5-6/h5-6,18H,2-4,7-8H2,1H3,(H,17,19);1-5,7-8H
InChIKeyFJXRZGWQKVWLLC-UHFFFAOYSA-N
XLogP6.10
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.33
LogP ≤ 56.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
CID 141000204
2,2,3,3,4,4,5,5,6,6-decadeuterio-N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
CID 71316720
N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide
CID 139825304
N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
CID 102261285
[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate
CID 59942316
S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 1-methylcyclohexane-1-carbothioate
CID 22956219
[2-[(1-methylcyclohexanecarbonyl)amino]phenyl]sulfanylformic acid
CID 166817254
[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 59942309
5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826163
methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate
CID 59942319
N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide
CID 107790194
N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827308

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine?
The IUPAC name of N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine (CID 174612601) is N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine.
What is the SMILES notation for N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine?
The canonical SMILES for N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine is CC1(C(=O)Nc2ccc(O)c(Cl)c2Cl)CCCCC1.ONc1ccccc1.
What is the InChIKey of N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine?
The InChIKey is FJXRZGWQKVWLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2.C6H7NO/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15;8-7-6-4-2-1-3-5-6/h5-6,18H,2-4,7-8H2,1H3,(H,17,19);1-5,7-8H.
What are the key properties of N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine?
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine has a molecular weight of 411.33 g/mol, XLogP of 6.10, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine is sourced from PubChem (CID 174612601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).