N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide

C14H12Br2N2O — CID 104814581

IUPACN-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cccc(Br)c2)cc1N
InChIInChI=1S/C14H12Br2N2O/c1-8-5-11(16)13(7-12(8)17)18-14(19)9-3-2-4-10(15)6-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyUWLJGIXKUMJWJA-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.35
Rot. Bonds2

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

N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide (PubChem CID 104814581) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
PubChem CID104814581
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cccc(Br)c2)cc1N
InChIInChI=1S/C14H12Br2N2O/c1-8-5-11(16)13(7-12(8)17)18-14(19)9-3-2-4-10(15)6-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyUWLJGIXKUMJWJA-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-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 104814446
N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997661
3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide
CID 43702662
N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide
CID 113456213
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793442
N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
CID 104757128
3-bromo-N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805603
3-amino-N-(2,5-dibromophenyl)benzamide
CID 43714178
3-bromo-N-(2-bromo-4-carbamothioylphenyl)benzamide
CID 107789578
3-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 110867241
3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
CID 76935570

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide (CID 104814581) is N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide is Cc1cc(Br)c(NC(=O)c2cccc(Br)c2)cc1N.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide?
The InChIKey is UWLJGIXKUMJWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-8-5-11(16)13(7-12(8)17)18-14(19)9-3-2-4-10(15)6-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide?
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide 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-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide is sourced from PubChem (CID 104814581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).