5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide

C16H17BrN2O — CID 107581692

IUPAC5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2cc(N)c(C)cc2C)c1
InChIInChI=1S/C16H17BrN2O/c1-9-4-12(17)7-13(5-9)19-16(20)14-8-15(18)11(3)6-10(14)2/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyKURPVJDYIMOWHG-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.21
Rot. Bonds2

About 5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide

5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide (PubChem CID 107581692) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
PubChem CID107581692
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2cc(N)c(C)cc2C)c1
InChIInChI=1S/C16H17BrN2O/c1-9-4-12(17)7-13(5-9)19-16(20)14-8-15(18)11(3)6-10(14)2/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyKURPVJDYIMOWHG-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
CID 107578505
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
CID 102704950
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
CID 61092080
5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide
CID 102704929
5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 104939258
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986
4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
CID 107583817
N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 114030738

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide (CID 107581692) is 5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide is Cc1cc(Br)cc(NC(=O)c2cc(N)c(C)cc2C)c1.
What is the InChIKey of 5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide?
The InChIKey is KURPVJDYIMOWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-9-4-12(17)7-13(5-9)19-16(20)14-8-15(18)11(3)6-10(14)2/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of 5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide?
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide has a molecular weight of 333.23 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 107581692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).