4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide

C17H14FN3O2 — CID 139216500

IUPAC4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide
SMILESCn1nc(C(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H14FN3O2/c1-21-14-5-3-2-4-13(14)16(20-21)15(22)10-19-17(23)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,23)
InChIKeyOTGXZWCBVXOAHF-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.33
Rot. Bonds4

About 4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide

4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide (PubChem CID 139216500) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide
PubChem CID139216500
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide
SMILESCn1nc(C(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H14FN3O2/c1-21-14-5-3-2-4-13(14)16(20-21)15(22)10-19-17(23)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,23)
InChIKeyOTGXZWCBVXOAHF-UHFFFAOYSA-N
XLogP2.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Apinaca
CID 57404063
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
Amb-fubinaca
CID 119026173
AB-Pinaca
CID 71301472
5-Fluoro-apinaca
CID 71711119
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide
CID 117650402

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide (CID 139216500) is 4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide is Cn1nc(C(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide?
The InChIKey is OTGXZWCBVXOAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-21-14-5-3-2-4-13(14)16(20-21)15(22)10-19-17(23)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,23).
What are the key properties of 4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide?
4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide has a molecular weight of 311.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 139216500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).