2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide

C18H15F2N3O2 — CID 139216505

IUPAC2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide
SMILESCn1nc(C(=O)CNC(=O)Cc2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C18H15F2N3O2/c1-23-15-5-3-2-4-12(15)18(22-23)16(24)10-21-17(25)9-11-6-7-13(19)14(20)8-11/h2-8H,9-10H2,1H3,(H,21,25)
InChIKeyLTKINRDAMZRXPZ-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.39
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide

2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide (PubChem CID 139216505) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide
PubChem CID139216505
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide
SMILESCn1nc(C(=O)CNC(=O)Cc2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C18H15F2N3O2/c1-23-15-5-3-2-4-12(15)18(22-23)16(24)10-21-17(25)9-11-6-7-13(19)14(20)8-11/h2-8H,9-10H2,1H3,(H,21,25)
InChIKeyLTKINRDAMZRXPZ-UHFFFAOYSA-N
XLogP2.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.39
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 2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide (CID 139216505) is 2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide is Cn1nc(C(=O)CNC(=O)Cc2ccc(F)c(F)c2)c2ccccc21.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide?
The InChIKey is LTKINRDAMZRXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-23-15-5-3-2-4-12(15)18(22-23)16(24)10-21-17(25)9-11-6-7-13(19)14(20)8-11/h2-8H,9-10H2,1H3,(H,21,25).
What are the key properties of 2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide?
2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide has a molecular weight of 343.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[2-(1-methylindazol-3-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 139216505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).