N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide

C14H19ClN2O — CID 100828283

IUPACN-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide
SMILESCc1cc(N)cc(Cl)c1NC(=O)C1CCCCC1
InChIInChI=1S/C14H19ClN2O/c1-9-7-11(16)8-12(15)13(9)17-14(18)10-5-3-2-4-6-10/h7-8,10H,2-6,16H2,1H3,(H,17,18)
InChIKeyQLWOSNCLAAZNEG-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.75
Rot. Bonds2

About N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide

N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide (PubChem CID 100828283) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide
PubChem CID100828283
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide
SMILESCc1cc(N)cc(Cl)c1NC(=O)C1CCCCC1
InChIInChI=1S/C14H19ClN2O/c1-9-7-11(16)8-12(15)13(9)17-14(18)10-5-3-2-4-6-10/h7-8,10H,2-6,16H2,1H3,(H,17,18)
InChIKeyQLWOSNCLAAZNEG-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-6-methyl-4-sulfamoylphenyl)cyclobutanecarboxamide
CID 66255370
N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide
CID 62586302
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide
CID 43134141
1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144573
N-(2,6-dichlorophenyl)cyclohexanecarboxamide
CID 897145
N-(2-amino-6-methylphenyl)cyclohexanecarboxamide
CID 43152327
N-(2,6-dichloro-4-sulfamoylphenyl)cyclopentanecarboxamide
CID 43246828
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide
CID 110686145
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide
CID 109132479
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174944

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide (CID 100828283) is N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide is Cc1cc(N)cc(Cl)c1NC(=O)C1CCCCC1.
What is the InChIKey of N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide?
The InChIKey is QLWOSNCLAAZNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-7-11(16)8-12(15)13(9)17-14(18)10-5-3-2-4-6-10/h7-8,10H,2-6,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide?
N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 100828283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).