N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide

C17H16FN3O2 — CID 22480110

IUPACN-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide
SMILESCC(O)CC(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H16FN3O2/c1-10(22)8-16(23)19-13-6-7-15-14(9-13)17(21-20-15)11-2-4-12(18)5-3-11/h2-7,9-10,22H,8H2,1H3,(H,19,23)(H,20,21)
InChIKeyYUXRSOFQVLKPKM-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.08
Rot. Bonds4

About N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide (PubChem CID 22480110) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide
PubChem CID22480110
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide
SMILESCC(O)CC(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H16FN3O2/c1-10(22)8-16(23)19-13-6-7-15-14(9-13)17(21-20-15)11-2-4-12(18)5-3-11/h2-7,9-10,22H,8H2,1H3,(H,19,23)(H,20,21)
InChIKeyYUXRSOFQVLKPKM-UHFFFAOYSA-N
XLogP3.08
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110459272
N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide (CID 22480110) is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide is CC(O)CC(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide?
The InChIKey is YUXRSOFQVLKPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-10(22)8-16(23)19-13-6-7-15-14(9-13)17(21-20-15)11-2-4-12(18)5-3-11/h2-7,9-10,22H,8H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide?
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide has a molecular weight of 313.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxybutanamide is sourced from PubChem (CID 22480110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).