N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide

C18H16FN3O — CID 171559426

IUPACN-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide
SMILESCn1nc(NC(=O)c2cccc(F)c2)c2cccc(C3CC3)c21
InChIInChI=1S/C18H16FN3O/c1-22-16-14(11-8-9-11)6-3-7-15(16)17(21-22)20-18(23)12-4-2-5-13(19)10-12/h2-7,10-11H,8-9H2,1H3,(H,20,21,23)
InChIKeyZQFLUYZLLRVKJJ-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.84
Rot. Bonds3

About N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide

N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide (PubChem CID 171559426) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide
PubChem CID171559426
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide
SMILESCn1nc(NC(=O)c2cccc(F)c2)c2cccc(C3CC3)c21
InChIInChI=1S/C18H16FN3O/c1-22-16-14(11-8-9-11)6-3-7-15(16)17(21-22)20-18(23)12-4-2-5-13(19)10-12/h2-7,10-11H,8-9H2,1H3,(H,20,21,23)
InChIKeyZQFLUYZLLRVKJJ-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide
CID 171559389
N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide
CID 171559481
N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide
CID 171559435
3-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 110472464
5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110483243
3-fluoro-N-(1-methylindazol-6-yl)benzamide
CID 110462740
3-fluoro-N-[3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]phenyl]benzamide
CID 55893293
N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95197391
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-fluorobenzamide
CID 3634271
3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17162617
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-methoxybenzamide
CID 134797678

Frequently Asked Questions

What is the IUPAC name of N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide?
The IUPAC name of N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide (CID 171559426) is N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide?
The canonical SMILES for N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide is Cn1nc(NC(=O)c2cccc(F)c2)c2cccc(C3CC3)c21.
What is the InChIKey of N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide?
The InChIKey is ZQFLUYZLLRVKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-22-16-14(11-8-9-11)6-3-7-15(16)17(21-22)20-18(23)12-4-2-5-13(19)10-12/h2-7,10-11H,8-9H2,1H3,(H,20,21,23).
What are the key properties of N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide?
N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide has a molecular weight of 309.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide is sourced from PubChem (CID 171559426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).