5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide

C18H20BrNO3 — CID 55798078

IUPAC5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCC(C)OCc1ccc(CNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C18H20BrNO3/c1-12(2)23-11-14-5-3-13(4-6-14)10-20-18(22)16-9-15(19)7-8-17(16)21/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyKOBYGIQUENFAGD-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.01
Rot. Bonds6

About 5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide

5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide (PubChem CID 55798078) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
PubChem CID55798078
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCC(C)OCc1ccc(CNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C18H20BrNO3/c1-12(2)23-11-14-5-3-13(4-6-14)10-20-18(22)16-9-15(19)7-8-17(16)21/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyKOBYGIQUENFAGD-UHFFFAOYSA-N
XLogP4.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
CID 107729215
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
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide
CID 55816021
1-[(5-bromo-2-hydroxybenzoyl)amino]-3-[(4-fluorophenyl)methyl]thiourea
CID 1295683
N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide
CID 60571641
2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748427
2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55748360
5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
CID 103602044
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide (CID 55798078) is 5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide is CC(C)OCc1ccc(CNC(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The InChIKey is KOBYGIQUENFAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-12(2)23-11-14-5-3-13(4-6-14)10-20-18(22)16-9-15(19)7-8-17(16)21/h3-9,12,21H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide has a molecular weight of 378.27 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55798078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).