3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide

C14H10F2N4O — CID 79758086

IUPAC3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide
SMILESNc1ccc(F)c(C(=O)Nc2cccc3[nH]ncc23)c1F
InChIInChI=1S/C14H10F2N4O/c15-8-4-5-9(17)13(16)12(8)14(21)19-10-2-1-3-11-7(10)6-18-20-11/h1-6H,17H2,(H,18,20)(H,19,21)
InChIKeyVFAYHYZANYNFCR-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.68
Rot. Bonds2

About 3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide

3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide (PubChem CID 79758086) has the molecular formula C14H10F2N4O and a molecular weight of 288.26 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide
PubChem CID79758086
Molecular FormulaC14H10F2N4O
Molecular Weight288.26 g/mol
Exact Mass288.08
IUPAC Name3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide
SMILESNc1ccc(F)c(C(=O)Nc2cccc3[nH]ncc23)c1F
InChIInChI=1S/C14H10F2N4O/c15-8-4-5-9(17)13(16)12(8)14(21)19-10-2-1-3-11-7(10)6-18-20-11/h1-6H,17H2,(H,18,20)(H,19,21)
InChIKeyVFAYHYZANYNFCR-UHFFFAOYSA-N
XLogP2.68
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-2,6-difluoro-N-(1H-indazol-4-yl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide (CID 79758086) is 3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide is Nc1ccc(F)c(C(=O)Nc2cccc3[nH]ncc23)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide?
The InChIKey is VFAYHYZANYNFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O/c15-8-4-5-9(17)13(16)12(8)14(21)19-10-2-1-3-11-7(10)6-18-20-11/h1-6H,17H2,(H,18,20)(H,19,21).
What are the key properties of 3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide?
3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide has a molecular weight of 288.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide is sourced from PubChem (CID 79758086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).