2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide

C22H23FN2O2 — CID 172658689

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide
SMILESCc1ccc(C(=O)N2CC(F)C2)cc1NC(=O)CC1CCc2ccccc21
InChIInChI=1S/C22H23FN2O2/c1-14-6-7-17(22(27)25-12-18(23)13-25)10-20(14)24-21(26)11-16-9-8-15-4-2-3-5-19(15)16/h2-7,10,16,18H,8-9,11-13H2,1H3,(H,24,26)
InChIKeyFXWKGSXFHNMETR-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.85
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide (PubChem CID 172658689) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide
PubChem CID172658689
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide
SMILESCc1ccc(C(=O)N2CC(F)C2)cc1NC(=O)CC1CCc2ccccc21
InChIInChI=1S/C22H23FN2O2/c1-14-6-7-17(22(27)25-12-18(23)13-25)10-20(14)24-21(26)11-16-9-8-15-4-2-3-5-19(15)16/h2-7,10,16,18H,8-9,11-13H2,1H3,(H,24,26)
InChIKeyFXWKGSXFHNMETR-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide (CID 172658689) is 2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide is Cc1ccc(C(=O)N2CC(F)C2)cc1NC(=O)CC1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide?
The InChIKey is FXWKGSXFHNMETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-14-6-7-17(22(27)25-12-18(23)13-25)10-20(14)24-21(26)11-16-9-8-15-4-2-3-5-19(15)16/h2-7,10,16,18H,8-9,11-13H2,1H3,(H,24,26).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide has a molecular weight of 366.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 172658689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).