[2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate

C12H11Cl2NO3 — CID 2511192

IUPAC[2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO3/c13-8-3-4-10(9(14)5-8)15-11(16)6-18-12(17)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16)
InChIKeyKQWNBIVIOUZNSE-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.89
Rot. Bonds4

About [2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate

[2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2511192) has the molecular formula C12H11Cl2NO3 and a molecular weight of 288.13 g/mol. Its IUPAC name is [2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2511192
Molecular FormulaC12H11Cl2NO3
Molecular Weight288.13 g/mol
Exact Mass287.01
IUPAC Name[2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO3/c13-8-3-4-10(9(14)5-8)15-11(16)6-18-12(17)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16)
InChIKeyKQWNBIVIOUZNSE-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)oxolane-2-carboxamide
CID 2862585
[1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 24686379
[N-(2,4-dichlorophenyl)carbamoyl]methyl acetate
CID 716415
[2-(2,6-dichloroanilino)-2-oxoethyl] (E)-but-2-enoate
CID 2362868
[2-(2-Chloroanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2406780
[2-(2-Chloroanilino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 3402579
(2-Anilino-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 3490954
[1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 4579006
4-O-[2-(2,4-dichloroanilino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 6013597
Ethyl [(4-chlorophenyl)amino](oxo)acetate
CID 79380
Ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
CID 12897311
[2-(3-Chloroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717410

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate (CID 2511192) is [2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is KQWNBIVIOUZNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3/c13-8-3-4-10(9(14)5-8)15-11(16)6-18-12(17)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16).
What are the key properties of [2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate?
[2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 288.13 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloroanilino)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2511192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).