[4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate

C18H13ClFNO5 — CID 46500050

IUPAC[4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate
SMILESCOc1cccc(NC2=C(Cl)C(=O)OC2OC(=O)c2ccccc2F)c1
InChIInChI=1S/C18H13ClFNO5/c1-24-11-6-4-5-10(9-11)21-15-14(19)17(23)26-18(15)25-16(22)12-7-2-3-8-13(12)20/h2-9,18,21H,1H3
InChIKeyMRWOLLIXYGGQQB-UHFFFAOYSA-N
MW377.76 g/mol
LogP3.44
Rot. Bonds5

About [4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate

[4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate (PubChem CID 46500050) has the molecular formula C18H13ClFNO5 and a molecular weight of 377.76 g/mol. Its IUPAC name is [4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate.

Molecular Properties

Compound Name[4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate
PubChem CID46500050
Molecular FormulaC18H13ClFNO5
Molecular Weight377.76 g/mol
Exact Mass377.05
IUPAC Name[4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate
SMILESCOc1cccc(NC2=C(Cl)C(=O)OC2OC(=O)c2ccccc2F)c1
InChIInChI=1S/C18H13ClFNO5/c1-24-11-6-4-5-10(9-11)21-15-14(19)17(23)26-18(15)25-16(22)12-7-2-3-8-13(12)20/h2-9,18,21H,1H3
InChIKeyMRWOLLIXYGGQQB-UHFFFAOYSA-N
XLogP3.44
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.76
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate
CID 98120064
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
[(2S)-4-chloro-3-(4-methylanilino)-5-oxo-2H-furan-2-yl] benzoate
CID 7515448
[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2427280
2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7864189
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-fluorobenzoate
CID 9147872
[4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
CID 50761488
(3-methoxyphenyl)methyl 2-fluorobenzoate
CID 57332820
2-(3-methoxyanilino)benzoate
CID 6943552
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate?
The IUPAC name of [4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate (CID 46500050) is [4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate.
What is the SMILES notation for [4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate?
The canonical SMILES for [4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate is COc1cccc(NC2=C(Cl)C(=O)OC2OC(=O)c2ccccc2F)c1.
What is the InChIKey of [4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate?
The InChIKey is MRWOLLIXYGGQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO5/c1-24-11-6-4-5-10(9-11)21-15-14(19)17(23)26-18(15)25-16(22)12-7-2-3-8-13(12)20/h2-9,18,21H,1H3.
What are the key properties of [4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate?
[4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate has a molecular weight of 377.76 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate is sourced from PubChem (CID 46500050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).