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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Related Compounds

4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid
CID 154740041
methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate
CID 86955196
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-ethoxy-4-methylphenyl)acetamide
CID 86955608
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-fluorophenyl)acetamide
CID 86955213
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 97118131
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7332974
N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955794
2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 86955228
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
N-[(2R,3S)-3-[4-[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide
CID 155035326
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 110000645
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 70734709

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).