4-amino-N-cyclohexylbenzamide;hydrochloride

C13H19ClN2O — CID 83814043

IUPAC4-amino-N-cyclohexylbenzamide;hydrochloride
SMILESCl.Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H18N2O.ClH/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12;/h6-9,12H,1-5,14H2,(H,15,16);1H
InChIKeyKLVGQULDQNYLMM-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.75
Rot. Bonds2

About 4-amino-N-cyclohexylbenzamide;hydrochloride

4-amino-N-cyclohexylbenzamide;hydrochloride (PubChem CID 83814043) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-amino-N-cyclohexylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-cyclohexylbenzamide;hydrochloride
PubChem CID83814043
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-amino-N-cyclohexylbenzamide;hydrochloride
SMILESCl.Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H18N2O.ClH/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12;/h6-9,12H,1-5,14H2,(H,15,16);1H
InChIKeyKLVGQULDQNYLMM-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.75
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

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3,5-diamino-N-cyclooctylbenzamide
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4-amino-N-(4-piperidin-1-ylcyclohexyl)benzamide
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4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride
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4-amino-N-[(3S)-piperidin-3-yl]benzamide
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3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexylbenzamide;hydrochloride?
The IUPAC name of 4-amino-N-cyclohexylbenzamide;hydrochloride (CID 83814043) is 4-amino-N-cyclohexylbenzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-cyclohexylbenzamide;hydrochloride?
The canonical SMILES for 4-amino-N-cyclohexylbenzamide;hydrochloride is Cl.Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-amino-N-cyclohexylbenzamide;hydrochloride?
The InChIKey is KLVGQULDQNYLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12;/h6-9,12H,1-5,14H2,(H,15,16);1H.
What are the key properties of 4-amino-N-cyclohexylbenzamide;hydrochloride?
4-amino-N-cyclohexylbenzamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohexylbenzamide;hydrochloride is sourced from PubChem (CID 83814043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).