[5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C21H18FNO3 — CID 45148366

IUPAC[5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C21H18FNO3/c1-14-12-15-4-2-3-5-19(15)23(14)21(24)20-11-10-18(26-20)13-25-17-8-6-16(22)7-9-17/h2-11,14H,12-13H2,1H3
InChIKeyDWHNLRHTOMSQKJ-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.59
Rot. Bonds4

About [5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 45148366) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is [5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID45148366
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name[5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C21H18FNO3/c1-14-12-15-4-2-3-5-19(15)23(14)21(24)20-11-10-18(26-20)13-25-17-8-6-16(22)7-9-17/h2-11,14H,12-13H2,1H3
InChIKeyDWHNLRHTOMSQKJ-UHFFFAOYSA-N
XLogP4.59
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone with MolForge

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Related Compounds

[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 1224559
[5-[(2-fluorophenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 51954992
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665248
[2-[(4-fluorophenyl)methylamino]pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109257363
[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 1002513
4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46616531
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 737594
[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109281775
(2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 94013099
2,3-dihydroindol-1-yl-[5-(phenoxymethyl)furan-2-yl]methanone
CID 17409583
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 51159283

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 45148366) is [5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of [5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is DWHNLRHTOMSQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-14-12-15-4-2-3-5-19(15)23(14)21(24)20-11-10-18(26-20)13-25-17-8-6-16(22)7-9-17/h2-11,14H,12-13H2,1H3.
What are the key properties of [5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 351.38 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 45148366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).