ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate

C14H15FN2O4 — CID 135086423

IUPACethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate
SMILESCCOC(=O)Nc1cc2ccc(F)cc2n1C(=O)OCC
InChIInChI=1S/C14H15FN2O4/c1-3-20-13(18)16-12-7-9-5-6-10(15)8-11(9)17(12)14(19)21-4-2/h5-8H,3-4H2,1-2H3,(H,16,18)
InChIKeyIKXBYOKYNLHYJV-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.35
Rot. Bonds3

About ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate

ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate (PubChem CID 135086423) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate
PubChem CID135086423
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Nameethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate
SMILESCCOC(=O)Nc1cc2ccc(F)cc2n1C(=O)OCC
InChIInChI=1S/C14H15FN2O4/c1-3-20-13(18)16-12-7-9-5-6-10(15)8-11(9)17(12)14(19)21-4-2/h5-8H,3-4H2,1-2H3,(H,16,18)
InChIKeyIKXBYOKYNLHYJV-UHFFFAOYSA-N
XLogP3.35
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Fluoro-1,3-dihydro-imidazo[4,5-b]quinolin-2-one
CID 13936969
Acetamide, N-(3-ethyl-1-phenyl-1H-indol-2-yl)-
CID 540574
N-(indolyl) trifluoroacetamide
CID 139599896
tert-butyl 2-nitro-1H-indole-1-carboxylate
CID 11737090
Ethyl 2-butyl-6-fluoroindole-1-carboxylate
CID 102168540
Ethyl 2-(ethoxycarbonylamino)-6-(trifluoromethyl)indole-1-carboxylate
CID 135086558
2-Methylpropyl 2-(3-methylbutanoylamino)-6-(trifluoromethyl)indole-1-carboxylate
CID 135086734
Indolylaminium trifluoroacetate
CID 163323001
Carbamic acid, 2-quinolinyl-, ethyl ester
CID 3829801
N,1-Dimethyl-1H-indol-2-amine
CID 11744928
Indolylurea
CID 21191320
2-Acetamidoindole
CID 53822897

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate?
The IUPAC name of ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate (CID 135086423) is ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate.
What is the SMILES notation for ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate?
The canonical SMILES for ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate is CCOC(=O)Nc1cc2ccc(F)cc2n1C(=O)OCC.
What is the InChIKey of ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate?
The InChIKey is IKXBYOKYNLHYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-3-20-13(18)16-12-7-9-5-6-10(15)8-11(9)17(12)14(19)21-4-2/h5-8H,3-4H2,1-2H3,(H,16,18).
What are the key properties of ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate?
ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate has a molecular weight of 294.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate is sourced from PubChem (CID 135086423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).