[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C16H16ClNO5 — CID 2646379

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(C)oc1C
InChIInChI=1S/C16H16ClNO5/c1-9-6-12(10(2)23-9)16(20)22-8-15(19)18-13-7-11(17)4-5-14(13)21-3/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyJHTCFTXXSWNWPM-UHFFFAOYSA-N
MW337.76 g/mol
LogP3.35
Rot. Bonds5

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2646379) has the molecular formula C16H16ClNO5 and a molecular weight of 337.76 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2646379
Molecular FormulaC16H16ClNO5
Molecular Weight337.76 g/mol
Exact Mass337.07
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(C)oc1C
InChIInChI=1S/C16H16ClNO5/c1-9-6-12(10(2)23-9)16(20)22-8-15(19)18-13-7-11(17)4-5-14(13)21-3/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyJHTCFTXXSWNWPM-UHFFFAOYSA-N
XLogP3.35
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-Dimethylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2434456
N-(5-chloro-2-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 844961
2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-methylfuran-3-carboxylate
CID 573250
[2-(5-Chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2119210
[2-(4-Fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2366984
[2-(2-Chloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2367920
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2435699
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2575604
[2-(2-Fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2642228
[2-[2-Chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7419537
[2-(2-Ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2435693
[2-(2-Methylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584862

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 2646379) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(C)oc1C.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is JHTCFTXXSWNWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5/c1-9-6-12(10(2)23-9)16(20)22-8-15(19)18-13-7-11(17)4-5-14(13)21-3/h4-7H,8H2,1-3H3,(H,18,19).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 337.76 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2646379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).