5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide

C14H12BrClN2O — CID 103477113

IUPAC5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C14H12BrClN2O/c1-8-5-6-9(17)7-10(8)14(19)18-12-4-2-3-11(16)13(12)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyHUXCPSLUAOYRPT-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

About 5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide

5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide (PubChem CID 103477113) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
PubChem CID103477113
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C14H12BrClN2O/c1-8-5-6-9(17)7-10(8)14(19)18-12-4-2-3-11(16)13(12)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyHUXCPSLUAOYRPT-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.25
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

5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
CID 62913176
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
N-(2-bromo-3-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 103480092
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919
2-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477110
2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide
CID 103477239
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
CID 103477086
N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038582
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide
CID 107121554
ethyl 5-amino-2-(2-bromo-3-chloroanilino)benzoate
CID 103481240

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide (CID 103477113) is 5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of 5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide?
The InChIKey is HUXCPSLUAOYRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-5-6-9(17)7-10(8)14(19)18-12-4-2-3-11(16)13(12)15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide?
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide has a molecular weight of 339.62 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide is sourced from PubChem (CID 103477113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).