3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide

C14H11Br2FN2O — CID 107590868

IUPAC3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cc(N)cc(Br)c1
InChIInChI=1S/C14H11Br2FN2O/c1-7-2-12(17)11(16)6-13(7)19-14(20)8-3-9(15)5-10(18)4-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyUNQOGKUVERCVNI-UHFFFAOYSA-N
MW402.06 g/mol
LogP4.49
Rot. Bonds2

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

3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide (PubChem CID 107590868) has the molecular formula C14H11Br2FN2O and a molecular weight of 402.06 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
PubChem CID107590868
Molecular FormulaC14H11Br2FN2O
Molecular Weight402.06 g/mol
Exact Mass399.92
IUPAC Name3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cc(N)cc(Br)c1
InChIInChI=1S/C14H11Br2FN2O/c1-7-2-12(17)11(16)6-13(7)19-14(20)8-3-9(15)5-10(18)4-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyUNQOGKUVERCVNI-UHFFFAOYSA-N
XLogP4.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.06
LogP ≤ 54.49
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

3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide
CID 107592505
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide
CID 107593919
N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 104889817
3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide
CID 102852308
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
CID 103274772
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide
CID 102739332
3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide
CID 103584318
ethyl 2-(5-bromo-4-fluoro-2-methylanilino)-2-oxoacetate
CID 107593469
N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide
CID 103807594

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide (CID 107590868) is 3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide is Cc1cc(F)c(Br)cc1NC(=O)c1cc(N)cc(Br)c1.
What is the InChIKey of 3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide?
The InChIKey is UNQOGKUVERCVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FN2O/c1-7-2-12(17)11(16)6-13(7)19-14(20)8-3-9(15)5-10(18)4-8/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide?
3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide has a molecular weight of 402.06 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 107590868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).