5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide

C14H11Br2ClN2O — CID 28983950

IUPAC5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)ccc2Cl)c(Br)c1
InChIInChI=1S/C14H11Br2ClN2O/c1-7-4-10(15)13(11(16)5-7)19-14(20)9-6-8(18)2-3-12(9)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyFXLKZGBHYAISRX-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.01
Rot. Bonds2

About 5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide

5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide (PubChem CID 28983950) has the molecular formula C14H11Br2ClN2O and a molecular weight of 418.52 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
PubChem CID28983950
Molecular FormulaC14H11Br2ClN2O
Molecular Weight418.52 g/mol
Exact Mass415.89
IUPAC Name5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)ccc2Cl)c(Br)c1
InChIInChI=1S/C14H11Br2ClN2O/c1-7-4-10(15)13(11(16)5-7)19-14(20)9-6-8(18)2-3-12(9)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyFXLKZGBHYAISRX-UHFFFAOYSA-N
XLogP5.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.01
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

2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 115540020
N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide
CID 106501147
5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide
CID 107185608
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 61110943
5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774
N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 116813593
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide
CID 107722300
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide (CID 28983950) is 5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide is Cc1cc(Br)c(NC(=O)c2cc(N)ccc2Cl)c(Br)c1.
What is the InChIKey of 5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide?
The InChIKey is FXLKZGBHYAISRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClN2O/c1-7-4-10(15)13(11(16)5-7)19-14(20)9-6-8(18)2-3-12(9)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide?
5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide is sourced from PubChem (CID 28983950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).