4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide

C15H14BrNO3 — CID 103830352

IUPAC4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C15H14BrNO3/c1-20-14-5-3-2-4-11(14)9-17-15(19)10-6-7-12(16)13(18)8-10/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyFSCYIOVXLZFXOZ-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.09
Rot. Bonds4

About 4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide

4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 103830352) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID103830352
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C15H14BrNO3/c1-20-14-5-3-2-4-11(14)9-17-15(19)10-6-7-12(16)13(18)8-10/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyFSCYIOVXLZFXOZ-UHFFFAOYSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2-chlorophenyl)methyl]-3-hydroxybenzamide
CID 103830389
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide
CID 62952153
3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 110410177
4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486
3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 43333393
[3-bromo-5-[(2-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid
CID 99738190
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide (CID 103830352) is 4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is FSCYIOVXLZFXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-20-14-5-3-2-4-11(14)9-17-15(19)10-6-7-12(16)13(18)8-10/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of 4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide?
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 336.19 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 103830352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).