2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide

C21H16FN3O2 — CID 86219903

IUPAC2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1F
InChIInChI=1S/C21H16FN3O2/c22-18-9-5-4-8-16(18)21(26)23-20-17-12-15(10-11-19(17)24-25-20)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,23,24,25,26)
InChIKeyZWZDQMQBWGKQSR-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.53
Rot. Bonds5

About 2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide

2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide (PubChem CID 86219903) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
PubChem CID86219903
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1F
InChIInChI=1S/C21H16FN3O2/c22-18-9-5-4-8-16(18)21(26)23-20-17-12-15(10-11-19(17)24-25-20)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,23,24,25,26)
InChIKeyZWZDQMQBWGKQSR-UHFFFAOYSA-N
XLogP4.53
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 91827382
N-[6-(furan-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539609
4-(4-Ethylpiperazin-1-Yl)-N-[6-(3-Methoxyphenyl)-2h-Indazol-3-Yl]benzamide
CID 91801169
Fgfr2-IN-1
CID 157049296
2-(4-Methoxyphenyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11537541
N-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162654484
N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162658664
N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162660618
N-[6-(2-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162670414
N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162672531
N-(5-methyl-1H-pyrazol-3-yl)-3-phenoxybenzamide
CID 2360970
N-(1-phenyl-3-(3-methoxyphenyl)-1H-pyrazol-3-yl)benzamide
CID 11717640

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide?
The IUPAC name of 2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide (CID 86219903) is 2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide is O=C(Nc1n[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide?
The InChIKey is ZWZDQMQBWGKQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-18-9-5-4-8-16(18)21(26)23-20-17-12-15(10-11-19(17)24-25-20)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,23,24,25,26).
What are the key properties of 2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide?
2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide has a molecular weight of 361.38 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide is sourced from PubChem (CID 86219903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).