[1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone

C26H18FNO — CID 134811800

IUPAC[1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1cn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C26H18FNO/c27-20-10-5-7-18(15-20)16-28-17-24(22-12-3-4-14-25(22)28)26(29)23-13-6-9-19-8-1-2-11-21(19)23/h1-15,17H,16H2
InChIKeyBRXRFBGALXAAFG-UHFFFAOYSA-N
MW379.43 g/mol
LogP6.21
Rot. Bonds4

About [1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone

[1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 134811800) has the molecular formula C26H18FNO and a molecular weight of 379.43 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
PubChem CID134811800
Molecular FormulaC26H18FNO
Molecular Weight379.43 g/mol
Exact Mass379.14
IUPAC Name[1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1cn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C26H18FNO/c27-20-10-5-7-18(15-20)16-28-17-24(22-12-3-4-14-25(22)28)26(29)23-13-6-9-19-8-1-2-11-21(19)23/h1-15,17H,16H2
InChIKeyBRXRFBGALXAAFG-UHFFFAOYSA-N
XLogP6.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(3-fluorophenyl)methyl]indol-3-yl]propanoic acid
CID 43825874
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 155516632
[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955151
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-phenylethanone
CID 4141723
1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole
CID 5077989
[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 91713112
[1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 132989243
2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid
CID 10346756
naphthalen-1-yl-(1-phenylindol-3-yl)methanone
CID 175269480
2-(chloroamino)-3-[1-[(3-fluorophenyl)methyl]indol-3-yl]propanoic acid
CID 87584825
1-benzyl-6-fluoroindole-3-carboxylic acid
CID 23073198

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone (CID 134811800) is [1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)c1cn(Cc2cccc(F)c2)c2ccccc12.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is BRXRFBGALXAAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FNO/c27-20-10-5-7-18(15-20)16-28-17-24(22-12-3-4-14-25(22)28)26(29)23-13-6-9-19-8-1-2-11-21(19)23/h1-15,17H,16H2.
What are the key properties of [1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone?
[1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 379.43 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 134811800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).