2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid

C15H16ClN3O4 — CID 118071501

IUPAC2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid
SMILESCNC(=O)c1[nH]c2cc(Cl)c3c(c2c1CCNC(=O)O)CCO3
InChIInChI=1S/C15H16ClN3O4/c1-17-14(20)12-7(2-4-18-15(21)22)11-8-3-5-23-13(8)9(16)6-10(11)19-12/h6,18-19H,2-5H2,1H3,(H,17,20)(H,21,22)
InChIKeyNQFGCKWYWXJGOF-UHFFFAOYSA-N
MW337.76 g/mol
LogP1.93
Rot. Bonds4

About 2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid

2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid (PubChem CID 118071501) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid
PubChem CID118071501
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid
SMILESCNC(=O)c1[nH]c2cc(Cl)c3c(c2c1CCNC(=O)O)CCO3
InChIInChI=1S/C15H16ClN3O4/c1-17-14(20)12-7(2-4-18-15(21)22)11-8-3-5-23-13(8)9(16)6-10(11)19-12/h6,18-19H,2-5H2,1H3,(H,17,20)(H,21,22)
InChIKeyNQFGCKWYWXJGOF-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-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid?
The IUPAC name of 2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid (CID 118071501) is 2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid?
The canonical SMILES for 2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid is CNC(=O)c1[nH]c2cc(Cl)c3c(c2c1CCNC(=O)O)CCO3.
What is the InChIKey of 2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid?
The InChIKey is NQFGCKWYWXJGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-17-14(20)12-7(2-4-18-15(21)22)11-8-3-5-23-13(8)9(16)6-10(11)19-12/h6,18-19H,2-5H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid?
2-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-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-[4-chloro-7-(methylcarbamoyl)-2,6-dihydro-1H-furo[3,2-e]indol-8-yl]ethylcarbamic acid is sourced from PubChem (CID 118071501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).