N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide

C14H12BrNO3 — CID 107726026

IUPACN-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide
SMILESO=C(Nc1ccc(CBr)cc1)c1ccc(O)cc1O
InChIInChI=1S/C14H12BrNO3/c15-8-9-1-3-10(4-2-9)16-14(19)12-6-5-11(17)7-13(12)18/h1-7,17-18H,8H2,(H,16,19)
InChIKeyIRIXZVDRZDJSJN-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.24
Rot. Bonds3

About N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide

N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide (PubChem CID 107726026) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide
PubChem CID107726026
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC NameN-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide
SMILESO=C(Nc1ccc(CBr)cc1)c1ccc(O)cc1O
InChIInChI=1S/C14H12BrNO3/c15-8-9-1-3-10(4-2-9)16-14(19)12-6-5-11(17)7-13(12)18/h1-7,17-18H,8H2,(H,16,19)
InChIKeyIRIXZVDRZDJSJN-UHFFFAOYSA-N
XLogP3.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107706046
N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide
CID 107721508
N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide
CID 103606001
N-(4-amino-3-fluorophenyl)-2,4-dihydroxybenzamide
CID 107721506
4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide
CID 103865733
4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide
CID 60598960
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
N-[4-(2-bromoethyl)phenyl]-2,3-dihydroxybenzamide
CID 114345303
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-4-methoxybenzamide
CID 61221954
N-[4-(bromomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885234
2-hydroxy-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38401851
4-amino-N-(4-aminophenyl)-2-hydroxybenzamide
CID 18931495

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide (CID 107726026) is N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide is O=C(Nc1ccc(CBr)cc1)c1ccc(O)cc1O.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide?
The InChIKey is IRIXZVDRZDJSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c15-8-9-1-3-10(4-2-9)16-14(19)12-6-5-11(17)7-13(12)18/h1-7,17-18H,8H2,(H,16,19).
What are the key properties of N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide?
N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide has a molecular weight of 322.16 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide is sourced from PubChem (CID 107726026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).