4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride

C14H20Cl2N2O — CID 119736471

IUPAC4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride
SMILESCC1(NC(=O)c2ccc(N)cc2Cl)CCCCC1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-14(7-3-2-4-8-14)17-13(18)11-6-5-10(16)9-12(11)15;/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,18);1H
InChIKeyDXJSVEXSORPTGH-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.80
Rot. Bonds2

About 4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride

4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride (PubChem CID 119736471) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride
PubChem CID119736471
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride
SMILESCC1(NC(=O)c2ccc(N)cc2Cl)CCCCC1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-14(7-3-2-4-8-14)17-13(18)11-6-5-10(16)9-12(11)15;/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,18);1H
InChIKeyDXJSVEXSORPTGH-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.80
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

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CID 110474001
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4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
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4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
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CID 81226891
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
2-(4-aminophenyl)-N-(1-methylcyclopentyl)acetamide;hydrochloride
CID 119736524
2-hydroxy-4-methyl-N-(1-methylcyclohexyl)benzamide
CID 61216850
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
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3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide
CID 103222033

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride?
The IUPAC name of 4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride (CID 119736471) is 4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride is CC1(NC(=O)c2ccc(N)cc2Cl)CCCCC1.Cl.
What is the InChIKey of 4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride?
The InChIKey is DXJSVEXSORPTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O.ClH/c1-14(7-3-2-4-8-14)17-13(18)11-6-5-10(16)9-12(11)15;/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,18);1H.
What are the key properties of 4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride?
4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride has a molecular weight of 303.23 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride is sourced from PubChem (CID 119736471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).