3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide

C14H11Br2NO2 — CID 103909337

IUPAC3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H11Br2NO2/c15-11-5-10(6-12(16)7-11)14(19)17-8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,17,19)
InChIKeyADZRTTHIFHGKRT-UHFFFAOYSA-N
MW385.06 g/mol
LogP3.85
Rot. Bonds3

About 3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide

3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide (PubChem CID 103909337) has the molecular formula C14H11Br2NO2 and a molecular weight of 385.06 g/mol. Its IUPAC name is 3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
PubChem CID103909337
Molecular FormulaC14H11Br2NO2
Molecular Weight385.06 g/mol
Exact Mass382.92
IUPAC Name3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H11Br2NO2/c15-11-5-10(6-12(16)7-11)14(19)17-8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,17,19)
InChIKeyADZRTTHIFHGKRT-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115735463
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598851
4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113241883
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 110410177
3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 103826531
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46474128
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
3-(benzamidomethyl)-5-bromo-2-hydroxybenzoic acid
CID 6610599
[3-bromo-5-[(2-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid
CID 99738190

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide (CID 103909337) is 3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide is O=C(NCc1ccccc1O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide?
The InChIKey is ADZRTTHIFHGKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO2/c15-11-5-10(6-12(16)7-11)14(19)17-8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,17,19).
What are the key properties of 3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide?
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide has a molecular weight of 385.06 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 103909337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).