4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride

C16H24Cl2N2O2 — CID 119750288

IUPAC4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCCC(C)C1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-10-4-3-5-11(6-10)9-19-16(20)12-7-13(17)14(18)8-15(12)21-2;/h7-8,10-11H,3-6,9,18H2,1-2H3,(H,19,20);1H
InChIKeyMIHYTIQYOJEMJL-UHFFFAOYSA-N
MW347.29 g/mol
LogP3.91
Rot. Bonds4

About 4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride

4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride (PubChem CID 119750288) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride
PubChem CID119750288
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC Name4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCCC(C)C1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-10-4-3-5-11(6-10)9-19-16(20)12-7-13(17)14(18)8-15(12)21-2;/h7-8,10-11H,3-6,9,18H2,1-2H3,(H,19,20);1H
InChIKeyMIHYTIQYOJEMJL-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride
CID 119793328
4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride
CID 70076286
4-amino-5-chloro-N-[[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-2-methoxybenzamide;dihydrochloride
CID 18643698
ethyl 4-[3-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-9-azabicyclo[3.3.1]nonan-9-yl]butanoate
CID 18981868
4-amino-5-chloro-N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-methoxybenzamide
CID 44522222
CID 59280146
CID 59280146
4-amino-5-chloro-2-methoxy-N-[[(3S,4R)-3-methoxypiperidin-4-yl]methyl]benzamide;dihydrochloride
CID 70075847
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
CID 119731737
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide;hydrochloride
CID 119746035
4-[3-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]pyrrolidin-1-yl]butanoic acid
CID 18981916

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride (CID 119750288) is 4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)NCC1CCCC(C)C1.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride?
The InChIKey is MIHYTIQYOJEMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2.ClH/c1-10-4-3-5-11(6-10)9-19-16(20)12-7-13(17)14(18)8-15(12)21-2;/h7-8,10-11H,3-6,9,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride?
4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 3.91, 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-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119750288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).