[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone

C20H14FNO2 — CID 955151

IUPAC[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C20H14FNO2/c21-15-9-7-14(8-10-15)12-22-13-17(16-4-1-2-5-18(16)22)20(23)19-6-3-11-24-19/h1-11,13H,12H2
InChIKeyYYIWNGXNDVFHJU-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.65
Rot. Bonds4

About [1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone

[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone (PubChem CID 955151) has the molecular formula C20H14FNO2 and a molecular weight of 319.34 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
PubChem CID955151
Molecular FormulaC20H14FNO2
Molecular Weight319.34 g/mol
Exact Mass319.10
IUPAC Name[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C20H14FNO2/c21-15-9-7-14(8-10-15)12-22-13-17(16-4-1-2-5-18(16)22)20(23)19-6-3-11-24-19/h1-11,13H,12H2
InChIKeyYYIWNGXNDVFHJU-UHFFFAOYSA-N
XLogP4.65
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955150
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 21373665
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
(Z)-4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 11695776
furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone
CID 4127305
1-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55678779
[1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
CID 134811800
2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2975165
2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 1096041
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4019115

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone?
The IUPAC name of [1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone (CID 955151) is [1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone is O=C(c1ccco1)c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone?
The InChIKey is YYIWNGXNDVFHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2/c21-15-9-7-14(8-10-15)12-22-13-17(16-4-1-2-5-18(16)22)20(23)19-6-3-11-24-19/h1-11,13H,12H2.
What are the key properties of [1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone?
[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone has a molecular weight of 319.34 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 955151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).