N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide

C12H9Cl2NO4 — CID 90081764

IUPACN-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
SMILESCC(=O)Nc1oc(-c2ccc(Cl)cc2Cl)c(O)c1O
InChIInChI=1S/C12H9Cl2NO4/c1-5(16)15-12-10(18)9(17)11(19-12)7-3-2-6(13)4-8(7)14/h2-4,17-18H,1H3,(H,15,16)
InChIKeyHVXUBSXBGGLDQL-UHFFFAOYSA-N
MW302.11 g/mol
LogP3.62
Rot. Bonds2

About N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide

N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide (PubChem CID 90081764) has the molecular formula C12H9Cl2NO4 and a molecular weight of 302.11 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
PubChem CID90081764
Molecular FormulaC12H9Cl2NO4
Molecular Weight302.11 g/mol
Exact Mass300.99
IUPAC NameN-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
SMILESCC(=O)Nc1oc(-c2ccc(Cl)cc2Cl)c(O)c1O
InChIInChI=1S/C12H9Cl2NO4/c1-5(16)15-12-10(18)9(17)11(19-12)7-3-2-6(13)4-8(7)14/h2-4,17-18H,1H3,(H,15,16)
InChIKeyHVXUBSXBGGLDQL-UHFFFAOYSA-N
XLogP3.62
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
CID 90081502
N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide
CID 90082030
3-bromo-N-[5-(2,4-dichlorophenyl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]propane-1-sulfonamide
CID 90080857
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880527
2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one
CID 7729084
[5-(2,4-dichlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate
CID 90081056
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
3-acetyloxy-2-[1-bromo-3-(sulfinoamino)propyl]-5-(2,4-dichlorophenyl)-4-hydroxyfuran
CID 90081378
3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde
CID 86608680
4-bromo-N-[5-(5-chloro-2-fluorophenyl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide
CID 90081408
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide (CID 90081764) is N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide is CC(=O)Nc1oc(-c2ccc(Cl)cc2Cl)c(O)c1O.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide?
The InChIKey is HVXUBSXBGGLDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4/c1-5(16)15-12-10(18)9(17)11(19-12)7-3-2-6(13)4-8(7)14/h2-4,17-18H,1H3,(H,15,16).
What are the key properties of N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide?
N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide has a molecular weight of 302.11 g/mol, XLogP of 3.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide is sourced from PubChem (CID 90081764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).