N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide

C20H16FN3O2 — CID 142112737

IUPACN-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc2c(c1)C(c1ccc(F)cc1)NN2)c1ccccc1O
InChIInChI=1S/C20H16FN3O2/c21-13-7-5-12(6-8-13)19-16-11-14(9-10-17(16)23-24-19)22-20(26)15-3-1-2-4-18(15)25/h1-11,19,23-25H,(H,22,26)
InChIKeyVOMMIGNIUXVJOM-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.80
Rot. Bonds3

About N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide

N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide (PubChem CID 142112737) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide
PubChem CID142112737
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc2c(c1)C(c1ccc(F)cc1)NN2)c1ccccc1O
InChIInChI=1S/C20H16FN3O2/c21-13-7-5-12(6-8-13)19-16-11-14(9-10-17(16)23-24-19)22-20(26)15-3-1-2-4-18(15)25/h1-11,19,23-25H,(H,22,26)
InChIKeyVOMMIGNIUXVJOM-UHFFFAOYSA-N
XLogP3.80
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide
CID 67564592
N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 114840033
4-fluoro-2-hydroxy-N-naphthalen-2-ylbenzamide
CID 107015197
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-2-hydroxybenzohydrazide
CID 51292428
2-hydroxy-N-phenylbenzamide
CID 157209959
N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107575419
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
N-(3-amino-4-bromophenyl)-2-hydroxybenzamide
CID 79767428
2-hydroxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 112810264
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide
CID 43057660
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide?
The IUPAC name of N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide (CID 142112737) is N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide is O=C(Nc1ccc2c(c1)C(c1ccc(F)cc1)NN2)c1ccccc1O.
What is the InChIKey of N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide?
The InChIKey is VOMMIGNIUXVJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-13-7-5-12(6-8-13)19-16-11-14(9-10-17(16)23-24-19)22-20(26)15-3-1-2-4-18(15)25/h1-11,19,23-25H,(H,22,26).
What are the key properties of N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide?
N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide has a molecular weight of 349.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-2-hydroxybenzamide is sourced from PubChem (CID 142112737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).