1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid

C16H13ClFNO2 — CID 83065301

IUPAC1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2Cl)CCc2c(F)cccc21
InChIInChI=1S/C16H13ClFNO2/c17-12-5-1-2-7-14(12)19-16(15(20)21)9-8-10-11(16)4-3-6-13(10)18/h1-7,19H,8-9H2,(H,20,21)
InChIKeyBUCNVKTVTMGJMZ-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.82
Rot. Bonds3

About 1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid

1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid (PubChem CID 83065301) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is 1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid
PubChem CID83065301
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2Cl)CCc2c(F)cccc21
InChIInChI=1S/C16H13ClFNO2/c17-12-5-1-2-7-14(12)19-16(15(20)21)9-8-10-11(16)4-3-6-13(10)18/h1-7,19H,8-9H2,(H,20,21)
InChIKeyBUCNVKTVTMGJMZ-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 116531273
1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide
CID 83065984
(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 97055121
1-(3-azidopropylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 83067176
1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide
CID 83065985
3-(2-chloroanilino)oxolane-3-carboxylic acid
CID 63333124
methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate
CID 83066492
1-(2-chloroanilino)cycloheptane-1-carboxylic acid
CID 60990839
4-(2-chloroanilino)thiane-4-carboxylic acid
CID 61319012
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid
CID 83069348
methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate
CID 83066676
ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate
CID 83066332

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid (CID 83065301) is 1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid is O=C(O)C1(Nc2ccccc2Cl)CCc2c(F)cccc21.
What is the InChIKey of 1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is BUCNVKTVTMGJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c17-12-5-1-2-7-14(12)19-16(15(20)21)9-8-10-11(16)4-3-6-13(10)18/h1-7,19H,8-9H2,(H,20,21).
What are the key properties of 1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 305.74 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroanilino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 83065301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).