2,4-dibromo-N-(3-methylphenyl)benzamide

C14H11Br2NO — CID 103882056

IUPAC2,4-dibromo-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C14H11Br2NO/c1-9-3-2-4-11(7-9)17-14(18)12-6-5-10(15)8-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyNMCYHXHEBYERHR-UHFFFAOYSA-N
MW369.06 g/mol
LogP4.77
Rot. Bonds2

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

2,4-dibromo-N-(3-methylphenyl)benzamide (PubChem CID 103882056) has the molecular formula C14H11Br2NO and a molecular weight of 369.06 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-methylphenyl)benzamide
PubChem CID103882056
Molecular FormulaC14H11Br2NO
Molecular Weight369.06 g/mol
Exact Mass366.92
IUPAC Name2,4-dibromo-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C14H11Br2NO/c1-9-3-2-4-11(7-9)17-14(18)12-6-5-10(15)8-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyNMCYHXHEBYERHR-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.06
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
5-bromo-2-[(3-methylphenyl)carbamoyl]benzoic acid
CID 72947684
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide
CID 113345345
2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
CID 103885203
2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103883202
N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
CID 107937331
2,4-dibromo-N-(3-methyl-4-nitrophenyl)benzamide
CID 103932023
2,4-dibromo-N-(3-bromo-4-chlorophenyl)benzamide
CID 107939196
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide
CID 114018393
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-methylphenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(3-methylphenyl)benzamide (CID 103882056) is 2,4-dibromo-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(Br)cc2Br)c1.
What is the InChIKey of 2,4-dibromo-N-(3-methylphenyl)benzamide?
The InChIKey is NMCYHXHEBYERHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO/c1-9-3-2-4-11(7-9)17-14(18)12-6-5-10(15)8-13(12)16/h2-8H,1H3,(H,17,18).
What are the key properties of 2,4-dibromo-N-(3-methylphenyl)benzamide?
2,4-dibromo-N-(3-methylphenyl)benzamide has a molecular weight of 369.06 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 103882056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).