4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide

C14H10BrF2NO2 — CID 62045941

IUPAC4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(Br)cc1O
InChIInChI=1S/C14H10BrF2NO2/c15-9-2-4-11(13(19)5-9)14(20)18-7-8-1-3-10(16)6-12(8)17/h1-6,19H,7H2,(H,18,20)
InChIKeyVIPYTDVWXWRBSF-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.36
Rot. Bonds3

About 4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide

4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide (PubChem CID 62045941) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is 4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
PubChem CID62045941
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC Name4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(Br)cc1O
InChIInChI=1S/C14H10BrF2NO2/c15-9-2-4-11(13(19)5-9)14(20)18-7-8-1-3-10(16)6-12(8)17/h1-6,19H,7H2,(H,18,20)
InChIKeyVIPYTDVWXWRBSF-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
CID 114372185
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
N-[(4-bromophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107015007
4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
CID 47436066
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
CID 115678323
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 103985523
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829795
ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate
CID 69452500
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide (CID 62045941) is 4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide is O=C(NCc1ccc(F)cc1F)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide?
The InChIKey is VIPYTDVWXWRBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c15-9-2-4-11(13(19)5-9)14(20)18-7-8-1-3-10(16)6-12(8)17/h1-6,19H,7H2,(H,18,20).
What are the key properties of 4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide?
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide has a molecular weight of 342.14 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 62045941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).