5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide

C16H14F2N2O — CID 116531217

IUPAC5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(Nc2ccc(F)cc2)CCc2cc(F)ccc21
InChIInChI=1S/C16H14F2N2O/c17-11-1-4-13(5-2-11)20-16(15(19)21)8-7-10-9-12(18)3-6-14(10)16/h1-6,9,20H,7-8H2,(H2,19,21)
InChIKeyOSUKAERHJNLBIQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.70
Rot. Bonds3

About 5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide

5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide (PubChem CID 116531217) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide
PubChem CID116531217
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(Nc2ccc(F)cc2)CCc2cc(F)ccc21
InChIInChI=1S/C16H14F2N2O/c17-11-1-4-13(5-2-11)20-16(15(19)21)8-7-10-9-12(18)3-6-14(10)16/h1-6,9,20H,7-8H2,(H2,19,21)
InChIKeyOSUKAERHJNLBIQ-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid
CID 116531255
4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide
CID 107149775
5-fluoro-1-formamido-2,3-dihydroindene-1-carboxylic acid
CID 116531327
1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 116531273
1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide
CID 83065985
1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide
CID 61006539
3-(4-fluoroanilino)oxolane-3-carboxamide
CID 63335238
1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 116531279
6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide
CID 114487148
1-(4-fluoroanilino)cyclopropane-1-carboxylic acid
CID 103439482
1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 58987988
1-anilino-2,3-dihydroindene-1-carboxylic acid
CID 12740130

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide (CID 116531217) is 5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide is NC(=O)C1(Nc2ccc(F)cc2)CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide?
The InChIKey is OSUKAERHJNLBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-11-1-4-13(5-2-11)20-16(15(19)21)8-7-10-9-12(18)3-6-14(10)16/h1-6,9,20H,7-8H2,(H2,19,21).
What are the key properties of 5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide?
5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 116531217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).