4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide

C14H11FN4O — CID 107794047

IUPAC4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide
SMILESNc1ccc(C(=O)Nc2cccc3cn[nH]c23)c(F)c1
InChIInChI=1S/C14H11FN4O/c15-11-6-9(16)4-5-10(11)14(20)18-12-3-1-2-8-7-17-19-13(8)12/h1-7H,16H2,(H,17,19)(H,18,20)
InChIKeyMSYIRYZXEWKXEN-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.54
Rot. Bonds2

About 4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide

4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide (PubChem CID 107794047) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide
PubChem CID107794047
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide
SMILESNc1ccc(C(=O)Nc2cccc3cn[nH]c23)c(F)c1
InChIInChI=1S/C14H11FN4O/c15-11-6-9(16)4-5-10(11)14(20)18-12-3-1-2-8-7-17-19-13(8)12/h1-7H,16H2,(H,17,19)(H,18,20)
InChIKeyMSYIRYZXEWKXEN-UHFFFAOYSA-N
XLogP2.54
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide
CID 62060504
2,3-difluoro-N-(1H-indazol-7-yl)benzamide
CID 62661069
3,4-difluoro-N-(1H-indazol-7-yl)benzamide
CID 110473054
2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide
CID 62060505
2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide
CID 115412694
N-(1H-indazol-7-yl)-2-(methylamino)benzamide
CID 61376523
2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide
CID 80979787
N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide
CID 172894549
2-(5-amino-2-pyridinyl)-N-(1H-indazol-7-yl)acetamide
CID 107337853
N-(1H-indazol-7-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43712758
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
N-(1H-indazol-7-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61260102

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide?
The IUPAC name of 4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide (CID 107794047) is 4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide is Nc1ccc(C(=O)Nc2cccc3cn[nH]c23)c(F)c1.
What is the InChIKey of 4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide?
The InChIKey is MSYIRYZXEWKXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-11-6-9(16)4-5-10(11)14(20)18-12-3-1-2-8-7-17-19-13(8)12/h1-7H,16H2,(H,17,19)(H,18,20).
What are the key properties of 4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide?
4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide has a molecular weight of 270.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide is sourced from PubChem (CID 107794047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).