4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride

C16H24Cl2N2O2 — CID 119793328

IUPAC4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride
SMILESCCC1CCCC(NC(=O)c2cc(Cl)c(N)cc2OC)C1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-3-10-5-4-6-11(7-10)19-16(20)12-8-13(17)14(18)9-15(12)21-2;/h8-11H,3-7,18H2,1-2H3,(H,19,20);1H
InChIKeyVCSSTHZUGRICNG-UHFFFAOYSA-N
MW347.29 g/mol
LogP4.05
Rot. Bonds4

About 4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride

4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride (PubChem CID 119793328) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride
PubChem CID119793328
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC Name4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride
SMILESCCC1CCCC(NC(=O)c2cc(Cl)c(N)cc2OC)C1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-3-10-5-4-6-11(7-10)19-16(20)12-8-13(17)14(18)9-15(12)21-2;/h8-11H,3-7,18H2,1-2H3,(H,19,20);1H
InChIKeyVCSSTHZUGRICNG-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892106
4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride
CID 119750288
2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide
CID 64749007
4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
CID 115369289
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
4-amino-5-chloro-2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 119701825
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-4-amino-5-chloro-2-methoxybenzamide
CID 505951
4-[3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-9-azabicyclo[3.3.1]nonan-9-yl]butanoic acid;hydrochloride
CID 67750450
3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide
CID 112575980
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid
CID 22080716
2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride (CID 119793328) is 4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride is CCC1CCCC(NC(=O)c2cc(Cl)c(N)cc2OC)C1.Cl.
What is the InChIKey of 4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride?
The InChIKey is VCSSTHZUGRICNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2.ClH/c1-3-10-5-4-6-11(7-10)19-16(20)12-8-13(17)14(18)9-15(12)21-2;/h8-11H,3-7,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride?
4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119793328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).