1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide

C21H22FNO2 — CID 86949726

IUPAC1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1CCc2c(O)cccc21)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C21H22FNO2/c22-15-6-3-5-14(13-15)21(11-1-2-12-21)20(25)23-18-10-9-17-16(18)7-4-8-19(17)24/h3-8,13,18,24H,1-2,9-12H2,(H,23,25)
InChIKeyMRKKTCCBHZEEOZ-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.15
Rot. Bonds3

About 1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide

1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide (PubChem CID 86949726) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide
PubChem CID86949726
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1CCc2c(O)cccc21)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C21H22FNO2/c22-15-6-3-5-14(13-15)21(11-1-2-12-21)20(25)23-18-10-9-17-16(18)7-4-8-19(17)24/h3-8,13,18,24H,1-2,9-12H2,(H,23,25)
InChIKeyMRKKTCCBHZEEOZ-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide (CID 86949726) is 1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide is O=C(NC1CCc2c(O)cccc21)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide?
The InChIKey is MRKKTCCBHZEEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c22-15-6-3-5-14(13-15)21(11-1-2-12-21)20(25)23-18-10-9-17-16(18)7-4-8-19(17)24/h3-8,13,18,24H,1-2,9-12H2,(H,23,25).
What are the key properties of 1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide?
1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide has a molecular weight of 339.41 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 86949726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).