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

C16H12ClNO6 — CID 98120064

IUPAC[(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate
SMILESCOc1cccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccco2)c1
InChIInChI=1S/C16H12ClNO6/c1-21-10-5-2-4-9(8-10)18-13-12(17)15(20)24-16(13)23-14(19)11-6-3-7-22-11/h2-8,16,18H,1H3/t16-/m1/s1
InChIKeyCTHPHWHLCWMNMX-MRXNPFEDSA-N
MW349.73 g/mol
LogP2.89
Rot. Bonds5

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

[(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate (PubChem CID 98120064) has the molecular formula C16H12ClNO6 and a molecular weight of 349.73 g/mol. Its IUPAC name is [(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate
PubChem CID98120064
Molecular FormulaC16H12ClNO6
Molecular Weight349.73 g/mol
Exact Mass349.04
IUPAC Name[(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate
SMILESCOc1cccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccco2)c1
InChIInChI=1S/C16H12ClNO6/c1-21-10-5-2-4-9(8-10)18-13-12(17)15(20)24-16(13)23-14(19)11-6-3-7-22-11/h2-8,16,18H,1H3/t16-/m1/s1
InChIKeyCTHPHWHLCWMNMX-MRXNPFEDSA-N
XLogP2.89
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate
CID 98120063
[4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] 2-fluorobenzoate
CID 46500050
[(2S)-4-chloro-3-(4-methylanilino)-5-oxo-2H-furan-2-yl] benzoate
CID 7515448
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2342352
5-(furan-2-yl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 71690130
1-(furan-2-yl)-3-(3-methoxyphenyl)urea
CID 108868447
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide
CID 3173116
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805
N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide
CID 91068337
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone
CID 21430685
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 42765515

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate?
The IUPAC name of [(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate (CID 98120064) is [(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate?
The canonical SMILES for [(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate is COc1cccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccco2)c1.
What is the InChIKey of [(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate?
The InChIKey is CTHPHWHLCWMNMX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H12ClNO6/c1-21-10-5-2-4-9(8-10)18-13-12(17)15(20)24-16(13)23-14(19)11-6-3-7-22-11/h2-8,16,18H,1H3/t16-/m1/s1.
What are the key properties of [(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate?
[(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate has a molecular weight of 349.73 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 98120064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).