N-(4-bromo-2,6-dimethylphenyl)benzamide

C15H14BrNO — CID 853809

IUPACN-(4-bromo-2,6-dimethylphenyl)benzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1ccccc1
InChIInChI=1S/C15H14BrNO/c1-10-8-13(16)9-11(2)14(10)17-15(18)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18)
InChIKeyXVYIXCKJQVPYKR-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.32
Rot. Bonds2

About N-(4-bromo-2,6-dimethylphenyl)benzamide

N-(4-bromo-2,6-dimethylphenyl)benzamide (PubChem CID 853809) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)benzamide
PubChem CID853809
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)benzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1ccccc1
InChIInChI=1S/C15H14BrNO/c1-10-8-13(16)9-11(2)14(10)17-15(18)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18)
InChIKeyXVYIXCKJQVPYKR-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)benzamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)benzamide (CID 853809) is N-(4-bromo-2,6-dimethylphenyl)benzamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)benzamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)benzamide is Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)benzamide?
The InChIKey is XVYIXCKJQVPYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-10-8-13(16)9-11(2)14(10)17-15(18)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)benzamide?
N-(4-bromo-2,6-dimethylphenyl)benzamide has a molecular weight of 304.19 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)benzamide is sourced from PubChem (CID 853809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).