3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide

C15H12Br2FNO2 — CID 2546525

IUPAC3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
SMILESCN(Cc1ccccc1F)C(=O)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H12Br2FNO2/c1-19(8-9-4-2-3-5-13(9)18)15(21)11-6-10(16)7-12(17)14(11)20/h2-7,20H,8H2,1H3
InChIKeyZLCFDKMJMDEUKC-UHFFFAOYSA-N
MW417.07 g/mol
LogP4.33
Rot. Bonds3

About 3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide

3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide (PubChem CID 2546525) has the molecular formula C15H12Br2FNO2 and a molecular weight of 417.07 g/mol. Its IUPAC name is 3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
PubChem CID2546525
Molecular FormulaC15H12Br2FNO2
Molecular Weight417.07 g/mol
Exact Mass414.92
IUPAC Name3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
SMILESCN(Cc1ccccc1F)C(=O)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H12Br2FNO2/c1-19(8-9-4-2-3-5-13(9)18)15(21)11-6-10(16)7-12(17)14(11)20/h2-7,20H,8H2,1H3
InChIKeyZLCFDKMJMDEUKC-UHFFFAOYSA-N
XLogP4.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.07
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47268472
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103852799
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 60628184
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515868
N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 55379395
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide?
The IUPAC name of 3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide (CID 2546525) is 3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide is CN(Cc1ccccc1F)C(=O)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide?
The InChIKey is ZLCFDKMJMDEUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO2/c1-19(8-9-4-2-3-5-13(9)18)15(21)11-6-10(16)7-12(17)14(11)20/h2-7,20H,8H2,1H3.
What are the key properties of 3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide?
3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide has a molecular weight of 417.07 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 2546525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).