4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide

C14H18BrNO3 — CID 103873712

IUPAC4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(Br)c(O)c2)CCOCC1
InChIInChI=1S/C14H18BrNO3/c1-14(4-6-19-7-5-14)9-16-13(18)10-2-3-11(15)12(17)8-10/h2-3,8,17H,4-7,9H2,1H3,(H,16,18)
InChIKeyDTOBUEZQZYLSSI-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.70
Rot. Bonds3

About 4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide

4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide (PubChem CID 103873712) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
PubChem CID103873712
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(Br)c(O)c2)CCOCC1
InChIInChI=1S/C14H18BrNO3/c1-14(4-6-19-7-5-14)9-16-13(18)10-2-3-11(15)12(17)8-10/h2-3,8,17H,4-7,9H2,1H3,(H,16,18)
InChIKeyDTOBUEZQZYLSSI-UHFFFAOYSA-N
XLogP2.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742483
4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103873707
4-bromo-N-[4-(bromomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 114171064
4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 103830618
5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 113252985
2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742541
4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide
CID 113252067
5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide
CID 91914813
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478
4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039692
N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 103742641
4-[[(3,4-dihydroxybenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 107728193

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide (CID 103873712) is 4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide is CC1(CNC(=O)c2ccc(Br)c(O)c2)CCOCC1.
What is the InChIKey of 4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide?
The InChIKey is DTOBUEZQZYLSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-14(4-6-19-7-5-14)9-16-13(18)10-2-3-11(15)12(17)8-10/h2-3,8,17H,4-7,9H2,1H3,(H,16,18).
What are the key properties of 4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide?
4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide has a molecular weight of 328.21 g/mol, XLogP of 2.70, 3 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-[(4-methyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 103873712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).