propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate

C11H12Cl2FNO2 — CID 107574010

IUPACpropan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate
SMILESCC(C)OC(=O)CNc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C11H12Cl2FNO2/c1-6(2)17-10(16)5-15-7-3-8(12)11(14)9(13)4-7/h3-4,6,15H,5H2,1-2H3
InChIKeySFPGYXWPVANKAF-UHFFFAOYSA-N
MW280.13 g/mol
LogP3.50
Rot. Bonds4

About propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate

propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate (PubChem CID 107574010) has the molecular formula C11H12Cl2FNO2 and a molecular weight of 280.13 g/mol. Its IUPAC name is propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate
PubChem CID107574010
Molecular FormulaC11H12Cl2FNO2
Molecular Weight280.13 g/mol
Exact Mass279.02
IUPAC Namepropan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate
SMILESCC(C)OC(=O)CNc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C11H12Cl2FNO2/c1-6(2)17-10(16)5-15-7-3-8(12)11(14)9(13)4-7/h3-4,6,15H,5H2,1-2H3
InChIKeySFPGYXWPVANKAF-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichloro-4-fluoroanilino)acetamide
CID 107573760
propan-2-yl 2-(4-hydroxyanilino)acetate
CID 22630318
ethyl 4-(3,5-dichloro-4-fluoroanilino)-3-hydroxybutanoate
CID 107575620
propan-2-yl 2-(3-bromo-4-methylanilino)acetate
CID 63333938
3-(3,5-dichloro-4-fluoroanilino)-2,2-dimethylpropanoic acid
CID 107573955
propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate
CID 107635818
2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103579817
propan-2-yl 3-(3,4-dichloroanilino)-3-oxopropanoate
CID 131843684
ethyl 2-[2-(3,5-dichloro-4-fluoroanilino)ethoxy]acetate
CID 107575606
2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide
CID 107574072
3-(3,5-dichloro-4-fluoroanilino)propanamide
CID 107573902
methyl 2-(3,5-dichloroanilino)acetate
CID 28576225

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate?
The IUPAC name of propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate (CID 107574010) is propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate.
What is the SMILES notation for propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate?
The canonical SMILES for propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate is CC(C)OC(=O)CNc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate?
The InChIKey is SFPGYXWPVANKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO2/c1-6(2)17-10(16)5-15-7-3-8(12)11(14)9(13)4-7/h3-4,6,15H,5H2,1-2H3.
What are the key properties of propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate?
propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate has a molecular weight of 280.13 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate is sourced from PubChem (CID 107574010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).