4-[4-(bromomethyl)phenyl]benzamide

C14H12BrNO — CID 123362022

IUPAC4-[4-(bromomethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(CBr)cc2)cc1
InChIInChI=1S/C14H12BrNO/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-8H,9H2,(H2,16,17)
InChIKeyINUTUFLAHUINBG-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.35
Rot. Bonds3

About 4-[4-(bromomethyl)phenyl]benzamide

4-[4-(bromomethyl)phenyl]benzamide (PubChem CID 123362022) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 4-[4-(bromomethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[4-(bromomethyl)phenyl]benzamide
PubChem CID123362022
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name4-[4-(bromomethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(CBr)cc2)cc1
InChIInChI=1S/C14H12BrNO/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-8H,9H2,(H2,16,17)
InChIKeyINUTUFLAHUINBG-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylphenyl)benzamide
CID 53425878
[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone
CID 19742105
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
4-(bromomethyl)benzoic acid;hydrobromide
CID 67089483
3-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 103693338
[4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone
CID 19043698
sodium 4-(bromomethyl)benzoate
CID 23662147
potassium 4-(bromomethyl)benzoate
CID 102001978
[4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate
CID 19792326
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-(2-phenylethyl)benzamide
CID 23130460

Frequently Asked Questions

What is the IUPAC name of 4-[4-(bromomethyl)phenyl]benzamide?
The IUPAC name of 4-[4-(bromomethyl)phenyl]benzamide (CID 123362022) is 4-[4-(bromomethyl)phenyl]benzamide.
What is the SMILES notation for 4-[4-(bromomethyl)phenyl]benzamide?
The canonical SMILES for 4-[4-(bromomethyl)phenyl]benzamide is NC(=O)c1ccc(-c2ccc(CBr)cc2)cc1.
What is the InChIKey of 4-[4-(bromomethyl)phenyl]benzamide?
The InChIKey is INUTUFLAHUINBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-8H,9H2,(H2,16,17).
What are the key properties of 4-[4-(bromomethyl)phenyl]benzamide?
4-[4-(bromomethyl)phenyl]benzamide has a molecular weight of 290.16 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(bromomethyl)phenyl]benzamide is sourced from PubChem (CID 123362022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).