5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide

C15H14BrNO2 — CID 27163181

IUPAC5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H14BrNO2/c1-10-2-4-11(5-3-10)9-17-15(19)13-8-12(16)6-7-14(13)18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyCWFAXLFSJJPMMV-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.39
Rot. Bonds3

About 5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide

5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 27163181) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
PubChem CID27163181
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H14BrNO2/c1-10-2-4-11(5-3-10)9-17-15(19)13-8-12(16)6-7-14(13)18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyCWFAXLFSJJPMMV-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
CID 107729215
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798078
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide
CID 55816021
5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide
CID 60584852
5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27164512
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide
CID 107231263
5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62166425
4-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 107233720
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 37267775

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide (CID 27163181) is 5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is CWFAXLFSJJPMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-2-4-11(5-3-10)9-17-15(19)13-8-12(16)6-7-14(13)18/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of 5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide?
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 27163181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).