N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide

C21H23FN4O — CID 166206651

IUPACN-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide
SMILESCc1c(F)cccc1NC(=O)CCN1CCC(n2ncc3ccccc32)C1
InChIInChI=1S/C21H23FN4O/c1-15-18(22)6-4-7-19(15)24-21(27)10-12-25-11-9-17(14-25)26-20-8-3-2-5-16(20)13-23-26/h2-8,13,17H,9-12,14H2,1H3,(H,24,27)
InChIKeyAHINIPQMOBJJKT-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.76
Rot. Bonds5

About N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide

N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide (PubChem CID 166206651) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide
PubChem CID166206651
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide
SMILESCc1c(F)cccc1NC(=O)CCN1CCC(n2ncc3ccccc32)C1
InChIInChI=1S/C21H23FN4O/c1-15-18(22)6-4-7-19(15)24-21(27)10-12-25-11-9-17(14-25)26-20-8-3-2-5-16(20)13-23-26/h2-8,13,17H,9-12,14H2,1H3,(H,24,27)
InChIKeyAHINIPQMOBJJKT-UHFFFAOYSA-N
XLogP3.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide
CID 120759781
N-(2-fluorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
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3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide
CID 81452753
N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
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N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
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3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 111543866
3-[3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanoylamino]thiophene-2-carboxylic acid
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3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148
N-(3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79192494
N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
CID 91830165

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide (CID 166206651) is N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide is Cc1c(F)cccc1NC(=O)CCN1CCC(n2ncc3ccccc32)C1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide?
The InChIKey is AHINIPQMOBJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-15-18(22)6-4-7-19(15)24-21(27)10-12-25-11-9-17(14-25)26-20-8-3-2-5-16(20)13-23-26/h2-8,13,17H,9-12,14H2,1H3,(H,24,27).
What are the key properties of N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide?
N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide has a molecular weight of 366.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-3-(3-indazol-1-ylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 166206651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).