4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide

C15H14BrNO2 — CID 47230441

IUPAC4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1O)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO2/c1-17(10-12-4-2-3-5-14(12)18)15(19)11-6-8-13(16)9-7-11/h2-9,18H,10H2,1H3
InChIKeyQOANFSIATORWNJ-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.43
Rot. Bonds3

About 4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide

4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide (PubChem CID 47230441) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
PubChem CID47230441
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1O)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO2/c1-17(10-12-4-2-3-5-14(12)18)15(19)11-6-8-13(16)9-7-11/h2-9,18H,10H2,1H3
InChIKeyQOANFSIATORWNJ-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-bromo-N-methylbenzamide
CID 751372
3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide
CID 60978582
5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47268472
N-[(2-bromophenyl)methyl]-3,4-dihydroxy-N-methylbenzamide
CID 103955411
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
5-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 61077053
N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 47290646
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 54906216
N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide
CID 121269393
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide (CID 47230441) is 4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide is CN(Cc1ccccc1O)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is QOANFSIATORWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-17(10-12-4-2-3-5-14(12)18)15(19)11-6-8-13(16)9-7-11/h2-9,18H,10H2,1H3.
What are the key properties of 4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 320.19 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 47230441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).