3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide

C14H11Br2NO3 — CID 3401015

IUPAC3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C14H11Br2NO3/c1-20-10-4-2-9(3-5-10)17-14(19)11-6-8(15)7-12(16)13(11)18/h2-7,18H,1H3,(H,17,19)
InChIKeyYFQYZLCHJYREBN-UHFFFAOYSA-N
MW401.05 g/mol
LogP4.18
Rot. Bonds3

About 3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide

3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide (PubChem CID 3401015) has the molecular formula C14H11Br2NO3 and a molecular weight of 401.05 g/mol. Its IUPAC name is 3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
PubChem CID3401015
Molecular FormulaC14H11Br2NO3
Molecular Weight401.05 g/mol
Exact Mass398.91
IUPAC Name3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C14H11Br2NO3/c1-20-10-4-2-9(3-5-10)17-14(19)11-6-8(15)7-12(16)13(11)18/h2-7,18H,1H3,(H,17,19)
InChIKeyYFQYZLCHJYREBN-UHFFFAOYSA-N
XLogP4.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.05
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide (CID 3401015) is 3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of 3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide?
The InChIKey is YFQYZLCHJYREBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO3/c1-20-10-4-2-9(3-5-10)17-14(19)11-6-8(15)7-12(16)13(11)18/h2-7,18H,1H3,(H,17,19).
What are the key properties of 3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide?
3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide has a molecular weight of 401.05 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-hydroxy-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 3401015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).