3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide

C19H19FN2O2 — CID 166285299

IUPAC3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(F)c(C(=O)NCCC2Cc3ccccc3C2)c1
InChIInChI=1S/C19H19FN2O2/c20-17-6-5-15(18(21)23)11-16(17)19(24)22-8-7-12-9-13-3-1-2-4-14(13)10-12/h1-6,11-12H,7-10H2,(H2,21,23)(H,22,24)
InChIKeyWHDYKFTVGZNPKN-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.46
Rot. Bonds5

About 3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide

3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide (PubChem CID 166285299) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
PubChem CID166285299
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(F)c(C(=O)NCCC2Cc3ccccc3C2)c1
InChIInChI=1S/C19H19FN2O2/c20-17-6-5-15(18(21)23)11-16(17)19(24)22-8-7-12-9-13-3-1-2-4-14(13)10-12/h1-6,11-12H,7-10H2,(H2,21,23)(H,22,24)
InChIKeyWHDYKFTVGZNPKN-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide (CID 166285299) is 3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide is NC(=O)c1ccc(F)c(C(=O)NCCC2Cc3ccccc3C2)c1.
What is the InChIKey of 3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide?
The InChIKey is WHDYKFTVGZNPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-17-6-5-15(18(21)23)11-16(17)19(24)22-8-7-12-9-13-3-1-2-4-14(13)10-12/h1-6,11-12H,7-10H2,(H2,21,23)(H,22,24).
What are the key properties of 3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide?
3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide has a molecular weight of 326.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide is sourced from PubChem (CID 166285299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).