2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid

C15H16ClN3O4 — CID 118071580

IUPAC2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid
SMILESCNC(=O)c1[nH]c2cc3c(c(Cl)c2c1CCNC(=O)O)OCC3
InChIInChI=1S/C15H16ClN3O4/c1-17-14(20)12-8(2-4-18-15(21)22)10-9(19-12)6-7-3-5-23-13(7)11(10)16/h6,18-19H,2-5H2,1H3,(H,17,20)(H,21,22)
InChIKeyTXNRIYIJOGGTTJ-UHFFFAOYSA-N
MW337.76 g/mol
LogP1.93
Rot. Bonds4

About 2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid

2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid (PubChem CID 118071580) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid
PubChem CID118071580
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid
SMILESCNC(=O)c1[nH]c2cc3c(c(Cl)c2c1CCNC(=O)O)OCC3
InChIInChI=1S/C15H16ClN3O4/c1-17-14(20)12-8(2-4-18-15(21)22)10-9(19-12)6-7-3-5-23-13(7)11(10)16/h6,18-19H,2-5H2,1H3,(H,17,20)(H,21,22)
InChIKeyTXNRIYIJOGGTTJ-UHFFFAOYSA-N
XLogP1.93
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid?
The IUPAC name of 2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid (CID 118071580) is 2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid?
The canonical SMILES for 2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid is CNC(=O)c1[nH]c2cc3c(c(Cl)c2c1CCNC(=O)O)OCC3.
What is the InChIKey of 2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid?
The InChIKey is TXNRIYIJOGGTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-17-14(20)12-8(2-4-18-15(21)22)10-9(19-12)6-7-3-5-23-13(7)11(10)16/h6,18-19H,2-5H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid?
2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid has a molecular weight of 337.76 g/mol, XLogP of 1.93, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid is sourced from PubChem (CID 118071580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).