1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid

C20H14FNO2 — CID 23582812

IUPAC1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1Cc1cccc2ccc(F)cc12
InChIInChI=1S/C20H14FNO2/c21-16-9-8-13-5-3-6-15(17(13)11-16)12-22-18-7-2-1-4-14(18)10-19(22)20(23)24/h1-11H,12H2,(H,23,24)
InChIKeyVTJLBBRPEKZJJR-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.68
Rot. Bonds3

About 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid

1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid (PubChem CID 23582812) has the molecular formula C20H14FNO2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid
PubChem CID23582812
Molecular FormulaC20H14FNO2
Molecular Weight319.34 g/mol
Exact Mass319.10
IUPAC Name1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1Cc1cccc2ccc(F)cc12
InChIInChI=1S/C20H14FNO2/c21-16-9-8-13-5-3-6-15(17(13)11-16)12-22-18-7-2-1-4-14(18)10-19(22)20(23)24/h1-11H,12H2,(H,23,24)
InChIKeyVTJLBBRPEKZJJR-UHFFFAOYSA-N
XLogP4.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid?
The IUPAC name of 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid (CID 23582812) is 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid.
What is the SMILES notation for 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid?
The canonical SMILES for 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid is O=C(O)c1cc2ccccc2n1Cc1cccc2ccc(F)cc12.
What is the InChIKey of 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid?
The InChIKey is VTJLBBRPEKZJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2/c21-16-9-8-13-5-3-6-15(17(13)11-16)12-22-18-7-2-1-4-14(18)10-19(22)20(23)24/h1-11H,12H2,(H,23,24).
What are the key properties of 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid?
1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid has a molecular weight of 319.34 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid is sourced from PubChem (CID 23582812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).