3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid

C22H15F2NO2 — CID 143773976

IUPAC3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C22H15F2NO2/c23-17-10-4-1-7-14(17)13-25-19-12-6-3-9-16(19)20(21(25)22(26)27)15-8-2-5-11-18(15)24/h1-12H,13H2,(H,26,27)
InChIKeyZHRAPBALVDKLDM-UHFFFAOYSA-N
MW363.36 g/mol
LogP5.33
Rot. Bonds4

About 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid

3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid (PubChem CID 143773976) has the molecular formula C22H15F2NO2 and a molecular weight of 363.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid
PubChem CID143773976
Molecular FormulaC22H15F2NO2
Molecular Weight363.36 g/mol
Exact Mass363.11
IUPAC Name3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C22H15F2NO2/c23-17-10-4-1-7-14(17)13-25-19-12-6-3-9-16(19)20(21(25)22(26)27)15-8-2-5-11-18(15)24/h1-12H,13H2,(H,26,27)
InChIKeyZHRAPBALVDKLDM-UHFFFAOYSA-N
XLogP5.33
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.36
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-3-(2-fluorophenyl)indole-2-carboxylic acid
CID 71592108
3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid
CID 25226741
3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid
CID 71592127
3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid
CID 71592126
1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone
CID 58240863
1-[(2-fluorophenyl)methyl]-3-(propylaminomethyl)indole-2-carboxylic acid
CID 53207040
1-[(2-fluorophenyl)methyl]-3-[(1-phenylethylamino)methyl]indole-2-carboxylic acid
CID 53207287
1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 59490878
3-(carboxymethyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
CID 58900234
3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
CID 143773929
1-benzyl-3-(4-fluoro-3-methoxyphenyl)indole-2-carboxylic acid
CID 130234249
3-(carboxymethyl)-1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid
CID 58900279

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid (CID 143773976) is 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid is O=C(O)c1c(-c2ccccc2F)c2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid?
The InChIKey is ZHRAPBALVDKLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NO2/c23-17-10-4-1-7-14(17)13-25-19-12-6-3-9-16(19)20(21(25)22(26)27)15-8-2-5-11-18(15)24/h1-12H,13H2,(H,26,27).
What are the key properties of 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid?
3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid has a molecular weight of 363.36 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid is sourced from PubChem (CID 143773976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).