N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide

C14H12Br2N2O — CID 107937331

IUPACN-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cc2Br)cc1N
InChIInChI=1S/C14H12Br2N2O/c1-8-2-4-10(7-13(8)17)18-14(19)11-5-3-9(15)6-12(11)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyLRKZFHPNXXUUDE-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.35
Rot. Bonds2

About N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide

N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide (PubChem CID 107937331) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
PubChem CID107937331
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC NameN-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cc2Br)cc1N
InChIInChI=1S/C14H12Br2N2O/c1-8-2-4-10(7-13(8)17)18-14(19)11-5-3-9(15)6-12(11)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyLRKZFHPNXXUUDE-UHFFFAOYSA-N
XLogP4.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.35
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

N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
CID 24700004
N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide
CID 107937325
2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103883202
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056
N-(2-amino-6-methylphenyl)-2,4-dibromobenzamide
CID 107937350
N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
CID 62958589
2,4-dibromo-N-(3-bromo-4-chlorophenyl)benzamide
CID 107939196
2,4-dibromo-N-(3-methyl-4-nitrophenyl)benzamide
CID 103932023
2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide
CID 114018393
2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide
CID 113345345
4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793271

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide (CID 107937331) is N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide is Cc1ccc(NC(=O)c2ccc(Br)cc2Br)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide?
The InChIKey is LRKZFHPNXXUUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-8-2-4-10(7-13(8)17)18-14(19)11-5-3-9(15)6-12(11)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide?
N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide has a molecular weight of 384.07 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide is sourced from PubChem (CID 107937331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).