2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide

C15H16FN3O — CID 118740682

IUPAC2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
SMILESO=C(Cc1cccc(F)c1)NC1CCCc2cn[nH]c21
InChIInChI=1S/C15H16FN3O/c16-12-5-1-3-10(7-12)8-14(20)18-13-6-2-4-11-9-17-19-15(11)13/h1,3,5,7,9,13H,2,4,6,8H2,(H,17,19)(H,18,20)
InChIKeyAHQFWDHYGREZCD-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.29
Rot. Bonds3

About 2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide

2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide (PubChem CID 118740682) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
PubChem CID118740682
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
SMILESO=C(Cc1cccc(F)c1)NC1CCCc2cn[nH]c21
InChIInChI=1S/C15H16FN3O/c16-12-5-1-3-10(7-12)8-14(20)18-13-6-2-4-11-9-17-19-15(11)13/h1,3,5,7,9,13H,2,4,6,8H2,(H,17,19)(H,18,20)
InChIKeyAHQFWDHYGREZCD-UHFFFAOYSA-N
XLogP2.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 154738802
3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide
CID 97323769
1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 155950298
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 167916039
2-(cyclopropylmethylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 119787806
(2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide
CID 119326065
3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride
CID 119951600
1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 97228997
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3-fluorophenyl)acetate
CID 8589815
3-[2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid
CID 120552371
N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide
CID 119787830
5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid
CID 122007006

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide (CID 118740682) is 2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide is O=C(Cc1cccc(F)c1)NC1CCCc2cn[nH]c21.
What is the InChIKey of 2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide?
The InChIKey is AHQFWDHYGREZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-12-5-1-3-10(7-12)8-14(20)18-13-6-2-4-11-9-17-19-15(11)13/h1,3,5,7,9,13H,2,4,6,8H2,(H,17,19)(H,18,20).
What are the key properties of 2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide?
2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide has a molecular weight of 273.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide is sourced from PubChem (CID 118740682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).