3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide

C20H14F2N4O2 — CID 46244215

IUPAC3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide
SMILESNc1cccc(C(=O)Nc2n[nH]c3ccc(Oc4cc(F)cc(F)c4)cc23)c1
InChIInChI=1S/C20H14F2N4O2/c21-12-7-13(22)9-16(8-12)28-15-4-5-18-17(10-15)19(26-25-18)24-20(27)11-2-1-3-14(23)6-11/h1-10H,23H2,(H2,24,25,26,27)
InChIKeyREXBVNPEPFUDKK-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.47
Rot. Bonds4

About 3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide

3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide (PubChem CID 46244215) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide
PubChem CID46244215
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide
SMILESNc1cccc(C(=O)Nc2n[nH]c3ccc(Oc4cc(F)cc(F)c4)cc23)c1
InChIInChI=1S/C20H14F2N4O2/c21-12-7-13(22)9-16(8-12)28-15-4-5-18-17(10-15)19(26-25-18)24-20(27)11-2-1-3-14(23)6-11/h1-10H,23H2,(H2,24,25,26,27)
InChIKeyREXBVNPEPFUDKK-UHFFFAOYSA-N
XLogP4.47
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide?
The IUPAC name of 3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide (CID 46244215) is 3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide is Nc1cccc(C(=O)Nc2n[nH]c3ccc(Oc4cc(F)cc(F)c4)cc23)c1.
What is the InChIKey of 3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide?
The InChIKey is REXBVNPEPFUDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c21-12-7-13(22)9-16(8-12)28-15-4-5-18-17(10-15)19(26-25-18)24-20(27)11-2-1-3-14(23)6-11/h1-10H,23H2,(H2,24,25,26,27).
What are the key properties of 3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide?
3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide has a molecular weight of 380.35 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(3,5-difluorophenoxy)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 46244215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).