2-bromo-5-methyl-N-phenylmethoxybenzamide

C15H14BrNO2 — CID 80962365

IUPAC2-bromo-5-methyl-N-phenylmethoxybenzamide
SMILESCc1ccc(Br)c(C(=O)NOCc2ccccc2)c1
InChIInChI=1S/C15H14BrNO2/c1-11-7-8-14(16)13(9-11)15(18)17-19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyNFXWURCAGMXXMP-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.62
Rot. Bonds4

About 2-bromo-5-methyl-N-phenylmethoxybenzamide

2-bromo-5-methyl-N-phenylmethoxybenzamide (PubChem CID 80962365) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-phenylmethoxybenzamide
PubChem CID80962365
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-bromo-5-methyl-N-phenylmethoxybenzamide
SMILESCc1ccc(Br)c(C(=O)NOCc2ccccc2)c1
InChIInChI=1S/C15H14BrNO2/c1-11-7-8-14(16)13(9-11)15(18)17-19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyNFXWURCAGMXXMP-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271
2-bromo-5-methoxy-N-phenylmethoxybenzamide
CID 41248162
3-bromo-2-fluoro-N-phenylmethoxybenzamide
CID 106544153
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
2-(2,5-dimethylphenyl)-N-phenylmethoxyacetamide
CID 63102778
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide
CID 9227498
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide
CID 80973519
4-bromo-N-phenylmethoxybenzamide
CID 41450559
2,3,4-trifluoro-N-phenylmethoxybenzamide
CID 79749238

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-phenylmethoxybenzamide?
The IUPAC name of 2-bromo-5-methyl-N-phenylmethoxybenzamide (CID 80962365) is 2-bromo-5-methyl-N-phenylmethoxybenzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-phenylmethoxybenzamide?
The canonical SMILES for 2-bromo-5-methyl-N-phenylmethoxybenzamide is Cc1ccc(Br)c(C(=O)NOCc2ccccc2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-phenylmethoxybenzamide?
The InChIKey is NFXWURCAGMXXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-11-7-8-14(16)13(9-11)15(18)17-19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-bromo-5-methyl-N-phenylmethoxybenzamide?
2-bromo-5-methyl-N-phenylmethoxybenzamide has a molecular weight of 320.19 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-phenylmethoxybenzamide is sourced from PubChem (CID 80962365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).