2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide

C14H11BrFNO2 — CID 28739035

IUPAC2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1Br)c1ccc(O)cc1
InChIInChI=1S/C14H11BrFNO2/c1-17(10-3-5-11(18)6-4-10)14(19)12-7-2-9(16)8-13(12)15/h2-8,18H,1H3
InChIKeyLAZFXZGPZYYVJF-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.57
Rot. Bonds2

About 2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide

2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide (PubChem CID 28739035) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
PubChem CID28739035
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1Br)c1ccc(O)cc1
InChIInChI=1S/C14H11BrFNO2/c1-17(10-3-5-11(18)6-4-10)14(19)12-7-2-9(16)8-13(12)15/h2-8,18H,1H3
InChIKeyLAZFXZGPZYYVJF-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61063397
2-bromo-4-fluoro-N-methyl-N-phenylbenzamide
CID 24710295
2-chloro-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739024
2-bromo-5-chloro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 113221937
5-fluoro-2-hydroxy-N-methyl-N-(4-methylphenyl)benzamide
CID 115299057
N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide
CID 86963073
2,3-difluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 55099719
2,4-difluoro-N-methyl-N-(4-phenoxyphenyl)benzamide
CID 47085591
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 107734400
N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide
CID 63234104
5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide
CID 28739338

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide (CID 28739035) is 2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1Br)c1ccc(O)cc1.
What is the InChIKey of 2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is LAZFXZGPZYYVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-17(10-3-5-11(18)6-4-10)14(19)12-7-2-9(16)8-13(12)15/h2-8,18H,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide?
2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 28739035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).