N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide

C15H13BrFNO2 — CID 107677678

IUPACN-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCc1cccc(CBr)c1)c1ccc(O)cc1F
InChIInChI=1S/C15H13BrFNO2/c16-8-10-2-1-3-11(6-10)9-18-15(20)13-5-4-12(19)7-14(13)17/h1-7,19H,8-9H2,(H,18,20)
InChIKeyNILWCLAGKHCZCT-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.36
Rot. Bonds4

About N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide

N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 107677678) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
PubChem CID107677678
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCc1cccc(CBr)c1)c1ccc(O)cc1F
InChIInChI=1S/C15H13BrFNO2/c16-8-10-2-1-3-11(6-10)9-18-15(20)13-5-4-12(19)7-14(13)17/h1-7,19H,8-9H2,(H,18,20)
InChIKeyNILWCLAGKHCZCT-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(bromomethyl)phenyl]methyl]-2,6-difluorobenzamide
CID 114313059
2,4-difluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292194
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107674361
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
N-[[3-(bromomethyl)phenyl]methyl]-2-chloro-4-fluorobenzamide
CID 114312951
N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide
CID 114313062
2-fluoro-4-hydroxy-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107675567
4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577900
N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 114312955
2-bromo-4-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292077
2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid
CID 20714672
5-bromo-2-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292159

Frequently Asked Questions

What is the IUPAC name of N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide (CID 107677678) is N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide is O=C(NCc1cccc(CBr)c1)c1ccc(O)cc1F.
What is the InChIKey of N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is NILWCLAGKHCZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-8-10-2-1-3-11(6-10)9-18-15(20)13-5-4-12(19)7-14(13)17/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide?
N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 338.18 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).