N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide

C15H14BrNO3 — CID 114309582

IUPACN-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2CBr)c(O)c1
InChIInChI=1S/C15H14BrNO3/c1-20-11-6-7-12(14(18)8-11)15(19)17-13-5-3-2-4-10(13)9-16/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyBLGHSKQRLCAKJP-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.55
Rot. Bonds4

About N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide

N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 114309582) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide
PubChem CID114309582
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC NameN-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2CBr)c(O)c1
InChIInChI=1S/C15H14BrNO3/c1-20-11-6-7-12(14(18)8-11)15(19)17-13-5-3-2-4-10(13)9-16/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyBLGHSKQRLCAKJP-UHFFFAOYSA-N
XLogP3.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide 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

N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114315449
N-(2,6-diethylphenyl)-2-hydroxy-4-methoxybenzamide
CID 43824721
2-amino-4-methoxy-N-[2-(methoxymethyl)phenyl]benzamide
CID 115412626
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide
CID 115412681
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600896
N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107706038
2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 62534197
2-hydroxy-4-methoxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813403
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-4-methoxybenzamide
CID 61221954
2-hydroxy-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38401851

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide (CID 114309582) is N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2CBr)c(O)c1.
What is the InChIKey of N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is BLGHSKQRLCAKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-20-11-6-7-12(14(18)8-11)15(19)17-13-5-3-2-4-10(13)9-16/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide?
N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 336.19 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 114309582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).