N-(2-bromo-4-methylphenyl)benzamide

C14H12BrNO — CID 853352

IUPACN-(2-bromo-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C14H12BrNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeySGEVKYATLFKDRR-UHFFFAOYSA-N
MW290.16 g/mol
LogP4.01
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)benzamide

N-(2-bromo-4-methylphenyl)benzamide (PubChem CID 853352) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)benzamide
PubChem CID853352
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC NameN-(2-bromo-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C14H12BrNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeySGEVKYATLFKDRR-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)benzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)benzamide (CID 853352) is N-(2-bromo-4-methylphenyl)benzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)benzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)benzamide?
The InChIKey is SGEVKYATLFKDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17).
What are the key properties of N-(2-bromo-4-methylphenyl)benzamide?
N-(2-bromo-4-methylphenyl)benzamide has a molecular weight of 290.16 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)benzamide is sourced from PubChem (CID 853352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).