N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide

C14H11Br2NO3 — CID 103414718

IUPACN-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
SMILESCOc1cc(NC(=O)c2ccccc2O)c(Br)cc1Br
InChIInChI=1S/C14H11Br2NO3/c1-20-13-7-11(9(15)6-10(13)16)17-14(19)8-4-2-3-5-12(8)18/h2-7,18H,1H3,(H,17,19)
InChIKeySLSOZWVRYJXNBV-UHFFFAOYSA-N
MW401.05 g/mol
LogP4.18
Rot. Bonds3

About N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide

N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide (PubChem CID 103414718) has the molecular formula C14H11Br2NO3 and a molecular weight of 401.05 g/mol. Its IUPAC name is N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
PubChem CID103414718
Molecular FormulaC14H11Br2NO3
Molecular Weight401.05 g/mol
Exact Mass398.91
IUPAC NameN-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
SMILESCOc1cc(NC(=O)c2ccccc2O)c(Br)cc1Br
InChIInChI=1S/C14H11Br2NO3/c1-20-13-7-11(9(15)6-10(13)16)17-14(19)8-4-2-3-5-12(8)18/h2-7,18H,1H3,(H,17,19)
InChIKeySLSOZWVRYJXNBV-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 N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide?
The IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide (CID 103414718) is N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide.
What is the SMILES notation for N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide?
The canonical SMILES for N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide is COc1cc(NC(=O)c2ccccc2O)c(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide?
The InChIKey is SLSOZWVRYJXNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO3/c1-20-13-7-11(9(15)6-10(13)16)17-14(19)8-4-2-3-5-12(8)18/h2-7,18H,1H3,(H,17,19).
What are the key properties of N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide?
N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide 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 N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide is sourced from PubChem (CID 103414718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).