ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate

C13H11ClFNO5 — CID 90080328

IUPACethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
SMILESCCOC(=O)Nc1oc(-c2cc(Cl)ccc2F)c(O)c1O
InChIInChI=1S/C13H11ClFNO5/c1-2-20-13(19)16-12-10(18)9(17)11(21-12)7-5-6(14)3-4-8(7)15/h3-5,17-18H,2H2,1H3,(H,16,19)
InChIKeyNPXBEGQSYKQRSX-UHFFFAOYSA-N
MW315.68 g/mol
LogP3.72
Rot. Bonds3

About ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate

ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate (PubChem CID 90080328) has the molecular formula C13H11ClFNO5 and a molecular weight of 315.68 g/mol. Its IUPAC name is ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
PubChem CID90080328
Molecular FormulaC13H11ClFNO5
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Nameethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
SMILESCCOC(=O)Nc1oc(-c2cc(Cl)ccc2F)c(O)c1O
InChIInChI=1S/C13H11ClFNO5/c1-2-20-13(19)16-12-10(18)9(17)11(21-12)7-5-6(14)3-4-8(7)15/h3-5,17-18H,2H2,1H3,(H,16,19)
InChIKeyNPXBEGQSYKQRSX-UHFFFAOYSA-N
XLogP3.72
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Propyl 3-[5-(3-chloro-8-fluoronaphthalen-1-yl)-4-hydroxy-2-(methylamino)furan-3-yl]benzoate
CID 53675512
2-(3-Chloro-5-propylphenyl)-5-(methylamino)-4-[3-(trifluoromethyl)phenyl]furan-3-ol
CID 53696031
4-(3-Chlorophenyl)-5-(cyclopropylamino)-2-(3-fluorophenyl)furan-3-ol
CID 53728916
5-Amino-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylfuran-3-ol
CID 53970733
5-Amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)furan-3-ol
CID 54032499
4-(2-Chloro-3-fluorophenyl)-2-ethyl-5-(methylamino)furan-3-ol
CID 54069272
4-[3-Chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol
CID 54094006
4-[3-Chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol
CID 54201505
2-Butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol
CID 54291453
5-Amino-2-butyl-4-(2-chloro-3-fluorophenyl)furan-3-ol
CID 54451552
4-(3-Chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol
CID 54525579
5-Amino-4-(2-chloro-3-fluorophenyl)-2-ethylfuran-3-ol
CID 54559154

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate (CID 90080328) is ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate is CCOC(=O)Nc1oc(-c2cc(Cl)ccc2F)c(O)c1O.
What is the InChIKey of ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The InChIKey is NPXBEGQSYKQRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO5/c1-2-20-13(19)16-12-10(18)9(17)11(21-12)7-5-6(14)3-4-8(7)15/h3-5,17-18H,2H2,1H3,(H,16,19).
What are the key properties of ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate has a molecular weight of 315.68 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate is sourced from PubChem (CID 90080328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).