4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride

C16H28Cl3N3O2 — CID 119841843

IUPAC4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC(CC(C)C)N(C)C.Cl.Cl
InChIInChI=1S/C16H26ClN3O2.2ClH/c1-10(2)6-11(20(3)4)9-19-16(21)12-7-13(17)14(18)8-15(12)22-5;;/h7-8,10-11H,6,9,18H2,1-5H3,(H,19,21);2*1H
InChIKeyHVVWSRYKWJDCJZ-UHFFFAOYSA-N
MW400.78 g/mol
LogP3.48
Rot. Bonds7

About 4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride

4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride (PubChem CID 119841843) has the molecular formula C16H28Cl3N3O2 and a molecular weight of 400.78 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride
PubChem CID119841843
Molecular FormulaC16H28Cl3N3O2
Molecular Weight400.78 g/mol
Exact Mass399.12
IUPAC Name4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC(CC(C)C)N(C)C.Cl.Cl
InChIInChI=1S/C16H26ClN3O2.2ClH/c1-10(2)6-11(20(3)4)9-19-16(21)12-7-13(17)14(18)8-15(12)22-5;;/h7-8,10-11H,6,9,18H2,1-5H3,(H,19,21);2*1H
InChIKeyHVVWSRYKWJDCJZ-UHFFFAOYSA-N
XLogP3.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.78
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
CID 119789268
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
CID 103771614
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate
CID 119805474
4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide
CID 119399247
4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride
CID 119719615
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
CID 119731737
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789399
4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
CID 10617240
4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride
CID 119691121

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride?
The IUPAC name of 4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride (CID 119841843) is 4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride.
What is the SMILES notation for 4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride?
The canonical SMILES for 4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride is COc1cc(N)c(Cl)cc1C(=O)NCC(CC(C)C)N(C)C.Cl.Cl.
What is the InChIKey of 4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride?
The InChIKey is HVVWSRYKWJDCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O2.2ClH/c1-10(2)6-11(20(3)4)9-19-16(21)12-7-13(17)14(18)8-15(12)22-5;;/h7-8,10-11H,6,9,18H2,1-5H3,(H,19,21);2*1H.
What are the key properties of 4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride?
4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride has a molecular weight of 400.78 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride is sourced from PubChem (CID 119841843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).