N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide

C16H17BrN2O2 — CID 62504551

IUPACN-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1c(C)cc(Br)cc1N
InChIInChI=1S/C16H17BrN2O2/c1-9-4-5-14(21-3)12(6-9)16(20)19-15-10(2)7-11(17)8-13(15)18/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyLQVDDPNCZMHMJA-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.91
Rot. Bonds3

About N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide

N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide (PubChem CID 62504551) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide
PubChem CID62504551
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1c(C)cc(Br)cc1N
InChIInChI=1S/C16H17BrN2O2/c1-9-4-5-14(21-3)12(6-9)16(20)19-15-10(2)7-11(17)8-13(15)18/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyLQVDDPNCZMHMJA-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-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
CID 62504201
N-(2-amino-4-bromo-6-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 43549991
N-(3-amino-2,6-dimethylphenyl)-2-methoxy-5-methylbenzamide
CID 62503695
N-(2-amino-4,6-dimethylphenyl)-2-methoxybenzamide
CID 56773272
N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
CID 43550066
N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide
CID 43549986
2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide
CID 62510394
4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
N-(2-amino-4-bromo-6-methylphenyl)-2,4-dichlorobenzamide
CID 43549936
5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide
CID 61094355
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
CID 43549968
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide (CID 62504551) is N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)Nc1c(C)cc(Br)cc1N.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide?
The InChIKey is LQVDDPNCZMHMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-9-4-5-14(21-3)12(6-9)16(20)19-15-10(2)7-11(17)8-13(15)18/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide?
N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide 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-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 62504551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).