2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide

C15H13BrFNO2 — CID 115680864

IUPAC2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1O)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C15H13BrFNO2/c1-18(9-10-5-2-3-8-13(10)19)15(20)14-11(16)6-4-7-12(14)17/h2-8,19H,9H2,1H3
InChIKeyMTAQAUVYJYJDPE-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.57
Rot. Bonds3

About 2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide

2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide (PubChem CID 115680864) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
PubChem CID115680864
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1O)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C15H13BrFNO2/c1-18(9-10-5-2-3-8-13(10)19)15(20)14-11(16)6-4-7-12(14)17/h2-8,19H,9H2,1H3
InChIKeyMTAQAUVYJYJDPE-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.57
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

2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114558373
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 115678696
4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47230441
5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47268472
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
CID 114561002
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide
CID 115678772

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide (CID 115680864) is 2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide is CN(Cc1ccccc1O)C(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is MTAQAUVYJYJDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-18(9-10-5-2-3-8-13(10)19)15(20)14-11(16)6-4-7-12(14)17/h2-8,19H,9H2,1H3.
What are the key properties of 2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 338.18 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 115680864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).