[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate

C14H12ClNO5 — CID 2715177

IUPAC[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C14H12ClNO5/c1-19-11-5-4-9(7-10(11)15)16-13(17)8-21-14(18)12-3-2-6-20-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyCWSTVDZVBNRRHW-UHFFFAOYSA-N
MW309.70 g/mol
LogP2.74
Rot. Bonds5

About [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate (PubChem CID 2715177) has the molecular formula C14H12ClNO5 and a molecular weight of 309.70 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate
PubChem CID2715177
Molecular FormulaC14H12ClNO5
Molecular Weight309.70 g/mol
Exact Mass309.04
IUPAC Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C14H12ClNO5/c1-19-11-5-4-9(7-10(11)15)16-13(17)8-21-14(18)12-3-2-6-20-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyCWSTVDZVBNRRHW-UHFFFAOYSA-N
XLogP2.74
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575597
N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9269646
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2391050
[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2631542
(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146864
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523988
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195479
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590459
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 5006665
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2449668
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149322

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate (CID 2715177) is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate is COc1ccc(NC(=O)COC(=O)c2ccco2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is CWSTVDZVBNRRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO5/c1-19-11-5-4-9(7-10(11)15)16-13(17)8-21-14(18)12-3-2-6-20-12/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate?
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 309.70 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 2715177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).