4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide

C14H12BrNO3 — CID 114906895

IUPAC4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Br)cc1Oc1cccc(CO)c1
InChIInChI=1S/C14H12BrNO3/c15-10-4-5-12(14(16)18)13(7-10)19-11-3-1-2-9(6-11)8-17/h1-7,17H,8H2,(H2,16,18)
InChIKeyPDQXZJPOPAWZRN-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.83
Rot. Bonds4

About 4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide

4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide (PubChem CID 114906895) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide.

Molecular Properties

Compound Name4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide
PubChem CID114906895
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Br)cc1Oc1cccc(CO)c1
InChIInChI=1S/C14H12BrNO3/c15-10-4-5-12(14(16)18)13(7-10)19-11-3-1-2-9(6-11)8-17/h1-7,17H,8H2,(H2,16,18)
InChIKeyPDQXZJPOPAWZRN-UHFFFAOYSA-N
XLogP2.83
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904303
2-bromo-3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid
CID 107540727
3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide
CID 79869376
4-bromo-2-(3-ethoxyphenoxy)benzenecarbothioamide
CID 114903739
1-[3-bromo-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanone
CID 62910215
5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide
CID 107197786
4-bromo-2-(3-methylphenoxy)benzoic acid
CID 43364853
4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904864
4-bromo-2-(3-ethoxyphenoxy)benzoic acid
CID 62335777
[3-(2-methoxyphenoxy)phenyl]methanol
CID 69315022
2-(4-bromophenoxy)-4-methylbenzamide
CID 62308096
2-(3-bromophenoxy)-5-fluorobenzamide
CID 63673769

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide?
The IUPAC name of 4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide (CID 114906895) is 4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide.
What is the SMILES notation for 4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide?
The canonical SMILES for 4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide is NC(=O)c1ccc(Br)cc1Oc1cccc(CO)c1.
What is the InChIKey of 4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide?
The InChIKey is PDQXZJPOPAWZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c15-10-4-5-12(14(16)18)13(7-10)19-11-3-1-2-9(6-11)8-17/h1-7,17H,8H2,(H2,16,18).
What are the key properties of 4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide?
4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide has a molecular weight of 322.16 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide is sourced from PubChem (CID 114906895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).