2-bromo-N-[(4-methylphenyl)methyl]benzamide

C15H14BrNO — CID 710568

IUPAC2-bromo-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C15H14BrNO/c1-11-6-8-12(9-7-11)10-17-15(18)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyLGOYBWKAINCSSY-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.69
Rot. Bonds3

About 2-bromo-N-[(4-methylphenyl)methyl]benzamide

2-bromo-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 710568) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-bromo-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(4-methylphenyl)methyl]benzamide
PubChem CID710568
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name2-bromo-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C15H14BrNO/c1-11-6-8-12(9-7-11)10-17-15(18)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyLGOYBWKAINCSSY-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(4-methylphenyl)methyl]benzamide (CID 710568) is 2-bromo-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is LGOYBWKAINCSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-11-6-8-12(9-7-11)10-17-15(18)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-[(4-methylphenyl)methyl]benzamide?
2-bromo-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 304.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 710568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).