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

C18H14ClNO5 — CID 46497891

IUPAC[4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate
SMILESCOc1ccccc1NC1=C(Cl)C(=O)OC1OC(=O)c1ccccc1
InChIInChI=1S/C18H14ClNO5/c1-23-13-10-6-5-9-12(13)20-15-14(19)17(22)25-18(15)24-16(21)11-7-3-2-4-8-11/h2-10,18,20H,1H3
InChIKeyKHPIGOROYOHLEF-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.30
Rot. Bonds5

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

[4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate (PubChem CID 46497891) has the molecular formula C18H14ClNO5 and a molecular weight of 359.77 g/mol. Its IUPAC name is [4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate.

Molecular Properties

Compound Name[4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate
PubChem CID46497891
Molecular FormulaC18H14ClNO5
Molecular Weight359.77 g/mol
Exact Mass359.06
IUPAC Name[4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate
SMILESCOc1ccccc1NC1=C(Cl)C(=O)OC1OC(=O)c1ccccc1
InChIInChI=1S/C18H14ClNO5/c1-23-13-10-6-5-9-12(13)20-15-14(19)17(22)25-18(15)24-16(21)11-7-3-2-4-8-11/h2-10,18,20H,1H3
InChIKeyKHPIGOROYOHLEF-UHFFFAOYSA-N
XLogP3.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate
CID 98120063
[(2S)-4-chloro-3-(4-methylanilino)-5-oxo-2H-furan-2-yl] benzoate
CID 7515448
(3-anilino-4-chloro-5-oxo-2H-furan-2-yl) 4-nitrobenzoate
CID 4153101
[(2R)-4-chloro-3-(3-methoxyanilino)-5-oxo-2H-furan-2-yl] furan-2-carboxylate
CID 98120064
CID 157228504
CID 157228504
4-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10038418
2-methoxy-N-phenylaniline
CID 10910514
5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970500
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-methoxyphenyl)urea;methyl benzoate
CID 141219476
methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878293

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate?
The IUPAC name of [4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate (CID 46497891) is [4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate.
What is the SMILES notation for [4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate?
The canonical SMILES for [4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate is COc1ccccc1NC1=C(Cl)C(=O)OC1OC(=O)c1ccccc1.
What is the InChIKey of [4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate?
The InChIKey is KHPIGOROYOHLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO5/c1-23-13-10-6-5-9-12(13)20-15-14(19)17(22)25-18(15)24-16(21)11-7-3-2-4-8-11/h2-10,18,20H,1H3.
What are the key properties of [4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate?
[4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate has a molecular weight of 359.77 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(2-methoxyanilino)-5-oxo-2H-furan-2-yl] benzoate is sourced from PubChem (CID 46497891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).