N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide

C16H17BrN2O2 — CID 24703033

IUPACN-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2c(C)ccc(N)c2C)c1
InChIInChI=1S/C16H17BrN2O2/c1-9-4-7-14(18)10(2)15(9)19-16(20)12-8-11(21-3)5-6-13(12)17/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyTYVBMYMMIJDFSE-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.91
Rot. Bonds3

About N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide

N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide (PubChem CID 24703033) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide
PubChem CID24703033
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2c(C)ccc(N)c2C)c1
InChIInChI=1S/C16H17BrN2O2/c1-9-4-7-14(18)10(2)15(9)19-16(20)12-8-11(21-3)5-6-13(12)17/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyTYVBMYMMIJDFSE-UHFFFAOYSA-N
XLogP3.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
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

N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
CID 61292962
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methoxybenzamide
CID 82799632
N-(3-amino-2,6-dimethylphenyl)-2-methoxy-5-methylbenzamide
CID 62503695
2-bromo-N-(3-hydroxy-2-methylphenyl)-5-methoxybenzamide
CID 64793819
2-bromo-N-(2,6-dichlorophenyl)-5-methoxybenzamide
CID 60629817
2-bromo-N-(5-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 2446537
N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
CID 43550231
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 103274988
N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide
CID 79768277
ethyl 5-[(2-bromo-5-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 51146239
N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709290
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide (CID 24703033) is N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2c(C)ccc(N)c2C)c1.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide?
The InChIKey is TYVBMYMMIJDFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-9-4-7-14(18)10(2)15(9)19-16(20)12-8-11(21-3)5-6-13(12)17/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide?
N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide is sourced from PubChem (CID 24703033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).