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

C18H24Cl3N3O2 — CID 119895304

IUPAC4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1cc(CN(C)C)ccc1C.Cl.Cl
InChIInChI=1S/C18H22ClN3O2.2ClH/c1-11-5-6-12(10-22(2)3)7-16(11)21-18(23)13-8-14(19)15(20)9-17(13)24-4;;/h5-9H,10,20H2,1-4H3,(H,21,23);2*1H
InChIKeySZTYKJYFIKCHBO-UHFFFAOYSA-N
MW420.77 g/mol
LogP4.40
Rot. Bonds5

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

4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride (PubChem CID 119895304) has the molecular formula C18H24Cl3N3O2 and a molecular weight of 420.77 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride
PubChem CID119895304
Molecular FormulaC18H24Cl3N3O2
Molecular Weight420.77 g/mol
Exact Mass419.09
IUPAC Name4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1cc(CN(C)C)ccc1C.Cl.Cl
InChIInChI=1S/C18H22ClN3O2.2ClH/c1-11-5-6-12(10-22(2)3)7-16(11)21-18(23)13-8-14(19)15(20)9-17(13)24-4;;/h5-9H,10,20H2,1-4H3,(H,21,23);2*1H
InChIKeySZTYKJYFIKCHBO-UHFFFAOYSA-N
XLogP4.40
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.77
LogP ≤ 54.40
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

N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide
CID 167958385
4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
CID 119835495
4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide
CID 12861895
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide
CID 62505777
4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide
CID 119399937
4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 119780348
4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide
CID 54543853
4-amino-5-chloro-N-[[3-(diethylaminomethyl)phenyl]methyl]-2-methoxybenzamide;dihydrochloride
CID 119847474
4-amino-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxybenzamide
CID 3078817
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
CID 83624401
N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide
CID 2596685
4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
CID 119703658

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride?
The IUPAC name of 4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride (CID 119895304) is 4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride.
What is the SMILES notation for 4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride?
The canonical SMILES for 4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride is COc1cc(N)c(Cl)cc1C(=O)Nc1cc(CN(C)C)ccc1C.Cl.Cl.
What is the InChIKey of 4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride?
The InChIKey is SZTYKJYFIKCHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2.2ClH/c1-11-5-6-12(10-22(2)3)7-16(11)21-18(23)13-8-14(19)15(20)9-17(13)24-4;;/h5-9H,10,20H2,1-4H3,(H,21,23);2*1H.
What are the key properties of 4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride?
4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride has a molecular weight of 420.77 g/mol, XLogP of 4.40, 5 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-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride is sourced from PubChem (CID 119895304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).