N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide

C14H11BrFNO2 — CID 115299606

IUPACN-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
SMILESO=C(Nc1cccc(CBr)c1)c1cc(F)ccc1O
InChIInChI=1S/C14H11BrFNO2/c15-8-9-2-1-3-11(6-9)17-14(19)12-7-10(16)4-5-13(12)18/h1-7,18H,8H2,(H,17,19)
InChIKeyNRGIXGJMQRMPSW-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.68
Rot. Bonds3

About N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide

N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide (PubChem CID 115299606) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
PubChem CID115299606
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC NameN-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
SMILESO=C(Nc1cccc(CBr)c1)c1cc(F)ccc1O
InChIInChI=1S/C14H11BrFNO2/c15-8-9-2-1-3-11(6-9)17-14(19)12-7-10(16)4-5-13(12)18/h1-7,18H,8H2,(H,17,19)
InChIKeyNRGIXGJMQRMPSW-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide 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

5-fluoro-2-hydroxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 115299348
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016950
N-(3-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 71459065
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide
CID 79532349
2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide
CID 113270977
N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298712
N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide
CID 114307203
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide
CID 114307198
2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 107729404

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide (CID 115299606) is N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide is O=C(Nc1cccc(CBr)c1)c1cc(F)ccc1O.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is NRGIXGJMQRMPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-8-9-2-1-3-11(6-9)17-14(19)12-7-10(16)4-5-13(12)18/h1-7,18H,8H2,(H,17,19).
What are the key properties of N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide?
N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115299606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).