1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid

C16H11ClFNO2 — CID 22310949

IUPAC1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(F)cc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C16H11ClFNO2/c17-12-3-1-2-10(6-12)9-19-14-8-13(18)5-4-11(14)7-15(19)16(20)21/h1-8H,9H2,(H,20,21)
InChIKeyOLUXXPMAWIPPCA-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.18
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid

1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid (PubChem CID 22310949) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid
PubChem CID22310949
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(F)cc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C16H11ClFNO2/c17-12-3-1-2-10(6-12)9-19-14-8-13(18)5-4-11(14)7-15(19)16(20)21/h1-8H,9H2,(H,20,21)
InChIKeyOLUXXPMAWIPPCA-UHFFFAOYSA-N
XLogP4.18
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid (CID 22310949) is 1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid is O=C(O)c1cc2ccc(F)cc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid?
The InChIKey is OLUXXPMAWIPPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c17-12-3-1-2-10(6-12)9-19-14-8-13(18)5-4-11(14)7-15(19)16(20)21/h1-8H,9H2,(H,20,21).
What are the key properties of 1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid?
1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid has a molecular weight of 303.72 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid is sourced from PubChem (CID 22310949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).