3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide

C14H11BrFNO3 — CID 107951997

IUPAC3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Br)c2F)cc1O
InChIInChI=1S/C14H11BrFNO3/c1-20-12-6-5-8(7-11(12)18)17-14(19)9-3-2-4-10(15)13(9)16/h2-7,18H,1H3,(H,17,19)
InChIKeyVVUZJOWKWZQGDM-UHFFFAOYSA-N
MW340.15 g/mol
LogP3.55
Rot. Bonds3

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

3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide (PubChem CID 107951997) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
PubChem CID107951997
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC Name3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Br)c2F)cc1O
InChIInChI=1S/C14H11BrFNO3/c1-20-12-6-5-8(7-11(12)18)17-14(19)9-3-2-4-10(15)13(9)16/h2-7,18H,1H3,(H,17,19)
InChIKeyVVUZJOWKWZQGDM-UHFFFAOYSA-N
XLogP3.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 106544979
N-(3-bromo-4-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 80712346
N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide
CID 107948694
3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
CID 106545841
N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
CID 107948876
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342
2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 103853347
3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106543999
N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 114840033
3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 106544218
2-amino-N-(3-hydroxy-4-methoxyphenyl)-5-methoxybenzamide
CID 115412684

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide (CID 107951997) is 3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cccc(Br)c2F)cc1O.
What is the InChIKey of 3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide?
The InChIKey is VVUZJOWKWZQGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c1-20-12-6-5-8(7-11(12)18)17-14(19)9-3-2-4-10(15)13(9)16/h2-7,18H,1H3,(H,17,19).
What are the key properties of 3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide?
3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide has a molecular weight of 340.15 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide is sourced from PubChem (CID 107951997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).