[4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate

C17H11BrClNO5 — CID 46499779

IUPAC[4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate
SMILESO=C1OC(OC(=O)c2ccccc2Br)C(Nc2cccc(O)c2)=C1Cl
InChIInChI=1S/C17H11BrClNO5/c18-12-7-2-1-6-11(12)15(22)24-17-14(13(19)16(23)25-17)20-9-4-3-5-10(21)8-9/h1-8,17,20-21H
InChIKeyMJUCHZXGLUQVOG-UHFFFAOYSA-N
MW424.63 g/mol
LogP3.76
Rot. Bonds4

About [4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate

[4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate (PubChem CID 46499779) has the molecular formula C17H11BrClNO5 and a molecular weight of 424.63 g/mol. Its IUPAC name is [4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate.

Molecular Properties

Compound Name[4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate
PubChem CID46499779
Molecular FormulaC17H11BrClNO5
Molecular Weight424.63 g/mol
Exact Mass422.95
IUPAC Name[4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate
SMILESO=C1OC(OC(=O)c2ccccc2Br)C(Nc2cccc(O)c2)=C1Cl
InChIInChI=1S/C17H11BrClNO5/c18-12-7-2-1-6-11(12)15(22)24-17-14(13(19)16(23)25-17)20-9-4-3-5-10(21)8-9/h1-8,17,20-21H
InChIKeyMJUCHZXGLUQVOG-UHFFFAOYSA-N
XLogP3.76
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-chloro-3-(3,4-dimethylanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate
CID 46499665
(2-bromobenzoyl) 2-chlorobenzoate
CID 88812522
2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939197
2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide
CID 2690759
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
3-(4-chloroanilino)phenol
CID 22350263
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
(3,4-dichlorophenyl)methyl 2-bromobenzoate
CID 4771233
4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide
CID 22076446
(3,4-dichlorophenyl) 2-bromobenzoate
CID 532491
(4-chlorophenyl)methyl 2-bromobenzoate
CID 962049
2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 6472883

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate?
The IUPAC name of [4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate (CID 46499779) is [4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate.
What is the SMILES notation for [4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate?
The canonical SMILES for [4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate is O=C1OC(OC(=O)c2ccccc2Br)C(Nc2cccc(O)c2)=C1Cl.
What is the InChIKey of [4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate?
The InChIKey is MJUCHZXGLUQVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClNO5/c18-12-7-2-1-6-11(12)15(22)24-17-14(13(19)16(23)25-17)20-9-4-3-5-10(21)8-9/h1-8,17,20-21H.
What are the key properties of [4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate?
[4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate has a molecular weight of 424.63 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(3-hydroxyanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate is sourced from PubChem (CID 46499779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).