5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide

C14H11BrFNO2 — CID 64793080

IUPAC5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(Br)ccc2F)cc1O
InChIInChI=1S/C14H11BrFNO2/c1-8-2-4-10(7-13(8)18)17-14(19)11-6-9(15)3-5-12(11)16/h2-7,18H,1H3,(H,17,19)
InChIKeyVQTPURSFILXSQX-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.85
Rot. Bonds2

About 5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide

5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide (PubChem CID 64793080) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
PubChem CID64793080
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(Br)ccc2F)cc1O
InChIInChI=1S/C14H11BrFNO2/c1-8-2-4-10(7-13(8)18)17-14(19)11-6-9(15)3-5-12(11)16/h2-7,18H,1H3,(H,17,19)
InChIKeyVQTPURSFILXSQX-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
CID 24700004
4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793271
5-bromo-N-(4-chloro-3-hydroxyphenyl)-2-fluorobenzamide
CID 64786910
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
2,5-dibromo-N-(3-fluoro-4-methylphenyl)benzamide
CID 114369991
5-amino-2,4-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699288
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837189

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide (CID 64793080) is 5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cc(Br)ccc2F)cc1O.
What is the InChIKey of 5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide?
The InChIKey is VQTPURSFILXSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-8-2-4-10(7-13(8)18)17-14(19)11-6-9(15)3-5-12(11)16/h2-7,18H,1H3,(H,17,19).
What are the key properties of 5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide?
5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide has a molecular weight of 324.15 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide is sourced from PubChem (CID 64793080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).