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

C14H11FN4O — CID 62060504

IUPAC2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide
SMILESNc1cc(F)ccc1C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C14H11FN4O/c15-9-4-5-10(11(16)6-9)14(20)18-12-3-1-2-8-7-17-19-13(8)12/h1-7H,16H2,(H,17,19)(H,18,20)
InChIKeyJTZLIQQBHQYDFO-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.54
Rot. Bonds2

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

2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide (PubChem CID 62060504) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide
PubChem CID62060504
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide
SMILESNc1cc(F)ccc1C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C14H11FN4O/c15-9-4-5-10(11(16)6-9)14(20)18-12-3-1-2-8-7-17-19-13(8)12/h1-7H,16H2,(H,17,19)(H,18,20)
InChIKeyJTZLIQQBHQYDFO-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

4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide
CID 107794047
2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide
CID 115412694
2,3-difluoro-N-(1H-indazol-7-yl)benzamide
CID 62661069
2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide
CID 62060505
N-(1H-indazol-7-yl)-2-(methylamino)benzamide
CID 61376523
3,4-difluoro-N-(1H-indazol-7-yl)benzamide
CID 110473054
2-amino-4-fluoro-N-(2-methylphenyl)benzamide
CID 62060652
2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide
CID 80979787
2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
CID 103477086
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
CID 63109743
N-(1H-indazol-7-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43712758

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide (CID 62060504) is 2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide is Nc1cc(F)ccc1C(=O)Nc1cccc2cn[nH]c12.
What is the InChIKey of 2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide?
The InChIKey is JTZLIQQBHQYDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-9-4-5-10(11(16)6-9)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 2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide?
2-amino-4-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 2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide is sourced from PubChem (CID 62060504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).