ethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate

C18H19FN2O2 — CID 25000823

IUPACethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)CCC2Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-2-23-18(22)21-15-8-9-16-12(11-15)3-10-17(16)20-14-6-4-13(19)5-7-14/h4-9,11,17,20H,2-3,10H2,1H3,(H,21,22)
InChIKeyKRNSJYJGNCMIQD-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.49
Rot. Bonds4

About ethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate

ethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate (PubChem CID 25000823) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is ethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate
PubChem CID25000823
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Nameethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)CCC2Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-2-23-18(22)21-15-8-9-16-12(11-15)3-10-17(16)20-14-6-4-13(19)5-7-14/h4-9,11,17,20H,2-3,10H2,1H3,(H,21,22)
InChIKeyKRNSJYJGNCMIQD-UHFFFAOYSA-N
XLogP4.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate?
The IUPAC name of ethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate (CID 25000823) is ethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate?
The canonical SMILES for ethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate is CCOC(=O)Nc1ccc2c(c1)CCC2Nc1ccc(F)cc1.
What is the InChIKey of ethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate?
The InChIKey is KRNSJYJGNCMIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-2-23-18(22)21-15-8-9-16-12(11-15)3-10-17(16)20-14-6-4-13(19)5-7-14/h4-9,11,17,20H,2-3,10H2,1H3,(H,21,22).
What are the key properties of ethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate?
ethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate has a molecular weight of 314.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-fluoroanilino)-2,3-dihydro-1H-inden-5-yl]carbamate is sourced from PubChem (CID 25000823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).