2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide

C14H12BrNO3 — CID 28739934

IUPAC2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc(O)c2)c1
InChIInChI=1S/C14H12BrNO3/c1-19-11-5-6-13(15)12(8-11)14(18)16-9-3-2-4-10(17)7-9/h2-8,17H,1H3,(H,16,18)
InChIKeyPRMHJGZPNWXTGP-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.42
Rot. Bonds3

About 2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide

2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide (PubChem CID 28739934) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
PubChem CID28739934
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc(O)c2)c1
InChIInChI=1S/C14H12BrNO3/c1-19-11-5-6-13(15)12(8-11)14(18)16-9-3-2-4-10(17)7-9/h2-8,17H,1H3,(H,16,18)
InChIKeyPRMHJGZPNWXTGP-UHFFFAOYSA-N
XLogP3.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2,6-dichlorophenyl)-5-methoxybenzamide
CID 60629817
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2-bromo-N-(3-hydroxy-2-methylphenyl)-5-methoxybenzamide
CID 64793819
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
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2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
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2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
2-bromo-N'-(2-hydroxybenzoyl)-5-methoxybenzohydrazide
CID 7661752
N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
CID 43550231
N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
CID 33309581
2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218207
N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide
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N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide
CID 79768120

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide (CID 28739934) is 2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2cccc(O)c2)c1.
What is the InChIKey of 2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide?
The InChIKey is PRMHJGZPNWXTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-19-11-5-6-13(15)12(8-11)14(18)16-9-3-2-4-10(17)7-9/h2-8,17H,1H3,(H,16,18).
What are the key properties of 2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide?
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide has a molecular weight of 322.16 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide is sourced from PubChem (CID 28739934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).