5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide

C18H15BrFN3O2 — CID 170513368

IUPAC5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide
SMILESCn1cc(-c2ccc(F)c(CNC(=O)c3cc(Br)ccc3O)c2)cn1
InChIInChI=1S/C18H15BrFN3O2/c1-23-10-13(9-22-23)11-2-4-16(20)12(6-11)8-21-18(25)15-7-14(19)3-5-17(15)24/h2-7,9-10,24H,8H2,1H3,(H,21,25)
InChIKeyJGBYCTRORHGCLI-UHFFFAOYSA-N
MW404.24 g/mol
LogP3.62
Rot. Bonds4

About 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide

5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide (PubChem CID 170513368) has the molecular formula C18H15BrFN3O2 and a molecular weight of 404.24 g/mol. Its IUPAC name is 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide
PubChem CID170513368
Molecular FormulaC18H15BrFN3O2
Molecular Weight404.24 g/mol
Exact Mass403.03
IUPAC Name5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide
SMILESCn1cc(-c2ccc(F)c(CNC(=O)c3cc(Br)ccc3O)c2)cn1
InChIInChI=1S/C18H15BrFN3O2/c1-23-10-13(9-22-23)11-2-4-16(20)12(6-11)8-21-18(25)15-7-14(19)3-5-17(15)24/h2-7,9-10,24H,8H2,1H3,(H,21,25)
InChIKeyJGBYCTRORHGCLI-UHFFFAOYSA-N
XLogP3.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Bromo-2-hydroxy-phenyl)-[1-(3,4-difluorophenyl)pyrazol-4-yl]methanone
CID 49866081
5-bromo-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
CID 141322558
5-bromo-2-hydroxy-N-{[(3M)-3-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}benzamide
CID 170513370
(3,5-Dibromo-2-hydroxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1H-pyrazol-4-yl}methanone
CID 139086896
5-bromo-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290636
5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292362
5-bromo-N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide
CID 19297517
5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328039
4-bromo-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-hydroxybenzamide
CID 56175984
2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 56800003
5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 79524336
5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 79532434

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide (CID 170513368) is 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide is Cn1cc(-c2ccc(F)c(CNC(=O)c3cc(Br)ccc3O)c2)cn1.
What is the InChIKey of 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide?
The InChIKey is JGBYCTRORHGCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O2/c1-23-10-13(9-22-23)11-2-4-16(20)12(6-11)8-21-18(25)15-7-14(19)3-5-17(15)24/h2-7,9-10,24H,8H2,1H3,(H,21,25).
What are the key properties of 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide?
5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide has a molecular weight of 404.24 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide is sourced from PubChem (CID 170513368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).