2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide

C14H11Br2ClN2O — CID 115540020

IUPAC2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
SMILESCc1cc(Br)c(NC(=O)c2cccc(Cl)c2N)c(Br)c1
InChIInChI=1S/C14H11Br2ClN2O/c1-7-5-9(15)13(10(16)6-7)19-14(20)8-3-2-4-11(17)12(8)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeySRAWPSSPKSYMKK-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.01
Rot. Bonds2

About 2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide

2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide (PubChem CID 115540020) has the molecular formula C14H11Br2ClN2O and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
PubChem CID115540020
Molecular FormulaC14H11Br2ClN2O
Molecular Weight418.52 g/mol
Exact Mass415.89
IUPAC Name2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
SMILESCc1cc(Br)c(NC(=O)c2cccc(Cl)c2N)c(Br)c1
InChIInChI=1S/C14H11Br2ClN2O/c1-7-5-9(15)13(10(16)6-7)19-14(20)8-3-2-4-11(17)12(8)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeySRAWPSSPKSYMKK-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
5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 28983950
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 116813418
2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 115540011
2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 107624293
N-(2,6-dibromo-4-methylphenyl)-2-(methylamino)benzamide
CID 61377648
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
CID 114036150
2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide
CID 115540802

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide (CID 115540020) is 2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide is Cc1cc(Br)c(NC(=O)c2cccc(Cl)c2N)c(Br)c1.
What is the InChIKey of 2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide?
The InChIKey is SRAWPSSPKSYMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClN2O/c1-7-5-9(15)13(10(16)6-7)19-14(20)8-3-2-4-11(17)12(8)18/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide?
2-amino-3-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 2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide is sourced from PubChem (CID 115540020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).