2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid

C16H10ClF2NO2 — CID 70561338

IUPAC2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1Cl)n1ccc2cccc(F)c21
InChIInChI=1S/C16H10ClF2NO2/c17-12-8-10(18)4-5-11(12)15(16(21)22)20-7-6-9-2-1-3-13(19)14(9)20/h1-8,15H,(H,21,22)
InChIKeyJJQOIHIPICDKEV-UHFFFAOYSA-N
MW321.71 g/mol
LogP4.25
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid

2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid (PubChem CID 70561338) has the molecular formula C16H10ClF2NO2 and a molecular weight of 321.71 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid
PubChem CID70561338
Molecular FormulaC16H10ClF2NO2
Molecular Weight321.71 g/mol
Exact Mass321.04
IUPAC Name2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1Cl)n1ccc2cccc(F)c21
InChIInChI=1S/C16H10ClF2NO2/c17-12-8-10(18)4-5-11(12)15(16(21)22)20-7-6-9-2-1-3-13(19)14(9)20/h1-8,15H,(H,21,22)
InChIKeyJJQOIHIPICDKEV-UHFFFAOYSA-N
XLogP4.25
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-fluorobenzyl)-1H-indol-3-yl]acetic acid
CID 2774436
1-((3-Chlorophenyl)methyl)-1H-indole-3-acetic acid
CID 2764268
(S)-2-(2-Chloro-6-fluoro-benzoylamino)-3-(1H-indol-3-yl)-propionic acid
CID 10383943
Methyl 2-(2-chloro-4-fluorophenyl)-2-(4-cyanoindol-1-yl)acetate
CID 57524531
Methyl 2-(2-chloro-4-fluorophenyl)-2-(4-chloroindol-1-yl)acetate
CID 57524611
Methyl 2-(2-chloro-4-fluorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]acetate
CID 57524784
2-[1-(4-Chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid
CID 71523525
(2S)-2-[[(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 155513845
(2S)-2-[[(1S)-1-(3-chlorophenyl)-2,2,2-trifluoroethyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 155519600
Methyl 2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetate
CID 57524530
Methyl 2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetate
CID 57524612
Methyl 2-(2-chloro-4-fluorophenyl)-2-[4-(trifluoromethylsulfonylamino)indol-1-yl]acetate
CID 57524702

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid (CID 70561338) is 2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid is O=C(O)C(c1ccc(F)cc1Cl)n1ccc2cccc(F)c21.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid?
The InChIKey is JJQOIHIPICDKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NO2/c17-12-8-10(18)4-5-11(12)15(16(21)22)20-7-6-9-2-1-3-13(19)14(9)20/h1-8,15H,(H,21,22).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid?
2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid has a molecular weight of 321.71 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-2-(7-fluoroindol-1-yl)acetic acid is sourced from PubChem (CID 70561338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).