4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one

C13H14ClNO3 — CID 12005154

IUPAC4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one
SMILESCCOC1OC(=O)C(Cl)=C1Nc1ccccc1C
InChIInChI=1S/C13H14ClNO3/c1-3-17-13-11(10(14)12(16)18-13)15-9-7-5-4-6-8(9)2/h4-7,13,15H,3H2,1-2H3
InChIKeyXRSUXRAHWOTJNO-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.78
Rot. Bonds4

About 4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one

4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one (PubChem CID 12005154) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one.

Molecular Properties

Compound Name4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one
PubChem CID12005154
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one
SMILESCCOC1OC(=O)C(Cl)=C1Nc1ccccc1C
InChIInChI=1S/C13H14ClNO3/c1-3-17-13-11(10(14)12(16)18-13)15-9-7-5-4-6-8(9)2/h4-7,13,15H,3H2,1-2H3
InChIKeyXRSUXRAHWOTJNO-UHFFFAOYSA-N
XLogP2.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-7-methyl-3H-2-benzofuran-1-one
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[(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate
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ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
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N-[6-(2-methylanilino)pyridazin-3-yl]propanamide
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4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine
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ethyl 3-amino-2-(2-methylanilino)benzoate
CID 115934055
3-chloro-2-diethoxyphosphoryl-8-methyl-N-(2-methylphenyl)quinolin-4-amine
CID 2142756
CID 175798397
CID 175798397
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65295229
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
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CID 616630

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one?
The IUPAC name of 4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one (CID 12005154) is 4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one.
What is the SMILES notation for 4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one?
The canonical SMILES for 4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one is CCOC1OC(=O)C(Cl)=C1Nc1ccccc1C.
What is the InChIKey of 4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one?
The InChIKey is XRSUXRAHWOTJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-3-17-13-11(10(14)12(16)18-13)15-9-7-5-4-6-8(9)2/h4-7,13,15H,3H2,1-2H3.
What are the key properties of 4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one?
4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one has a molecular weight of 267.71 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one is sourced from PubChem (CID 12005154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).