N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide

C14H10BrF2NO2 — CID 43244596

IUPACN-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(F)cc(F)cc2Br)c1O
InChIInChI=1S/C14H10BrF2NO2/c1-7-3-2-4-9(13(7)19)14(20)18-12-10(15)5-8(16)6-11(12)17/h2-6,19H,1H3,(H,18,20)
InChIKeyKKSTVKQSUZYUQE-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.99
Rot. Bonds2

About N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide

N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide (PubChem CID 43244596) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide
PubChem CID43244596
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(F)cc(F)cc2Br)c1O
InChIInChI=1S/C14H10BrF2NO2/c1-7-3-2-4-9(13(7)19)14(20)18-12-10(15)5-8(16)6-11(12)17/h2-6,19H,1H3,(H,18,20)
InChIKeyKKSTVKQSUZYUQE-UHFFFAOYSA-N
XLogP3.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4,6-difluorophenyl)-3-hydroxybenzamide
CID 43132174
3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide
CID 81471642
N-(2-bromo-4,6-difluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62510189
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
CID 63109685
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 16771478
2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982593
2-amino-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzamide
CID 83081775
3-amino-N-(2-bromo-4,6-difluorophenyl)-2,5-difluorobenzamide
CID 107120482
2-bromo-5-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 115295582
2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide (CID 43244596) is N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)Nc2c(F)cc(F)cc2Br)c1O.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide?
The InChIKey is KKSTVKQSUZYUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c1-7-3-2-4-9(13(7)19)14(20)18-12-10(15)5-8(16)6-11(12)17/h2-6,19H,1H3,(H,18,20).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide?
N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide has a molecular weight of 342.14 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 43244596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).