ethyl 2-(2,3-dichloroanilino)butanoate

C12H15Cl2NO2 — CID 64667551

IUPACethyl 2-(2,3-dichloroanilino)butanoate
SMILESCCOC(=O)C(CC)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-3-9(12(16)17-4-2)15-10-7-5-6-8(13)11(10)14/h5-7,9,15H,3-4H2,1-2H3
InChIKeyYFVWNWRETYQPGT-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.75
Rot. Bonds5

About ethyl 2-(2,3-dichloroanilino)butanoate

ethyl 2-(2,3-dichloroanilino)butanoate (PubChem CID 64667551) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is ethyl 2-(2,3-dichloroanilino)butanoate.

Molecular Properties

Compound Nameethyl 2-(2,3-dichloroanilino)butanoate
PubChem CID64667551
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Nameethyl 2-(2,3-dichloroanilino)butanoate
SMILESCCOC(=O)C(CC)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-3-9(12(16)17-4-2)15-10-7-5-6-8(13)11(10)14/h5-7,9,15H,3-4H2,1-2H3
InChIKeyYFVWNWRETYQPGT-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]butanoate
CID 64668147
ethyl 2-(2-chloro-4-methylanilino)butanoate
CID 64667154
ethyl 2-(3-bromo-2-methylanilino)butanoate
CID 107633694
ethyl 2-(4-chloro-2-iodoanilino)butanoate
CID 107634979
3-(2,3-dichloroanilino)butanamide
CID 82086378
ethyl 4-amino-3-(2-chloroanilino)-4-oxobutanoate
CID 66430916
methyl 2-(3-fluoro-2-methylanilino)butanoate
CID 79118150
ethyl (Z)-2-cyano-3-(2,3-dichloroanilino)prop-2-enoate
CID 41386519
ethyl (E)-4-(2,3-dichloroanilino)-4-oxobut-2-enoate
CID 6239951
methyl 2-(4-bromo-2,3-dichloroanilino)butanoate
CID 107788119
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
ethyl 2-(4-aminoanilino)butanoate
CID 154214416

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dichloroanilino)butanoate?
The IUPAC name of ethyl 2-(2,3-dichloroanilino)butanoate (CID 64667551) is ethyl 2-(2,3-dichloroanilino)butanoate.
What is the SMILES notation for ethyl 2-(2,3-dichloroanilino)butanoate?
The canonical SMILES for ethyl 2-(2,3-dichloroanilino)butanoate is CCOC(=O)C(CC)Nc1cccc(Cl)c1Cl.
What is the InChIKey of ethyl 2-(2,3-dichloroanilino)butanoate?
The InChIKey is YFVWNWRETYQPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-3-9(12(16)17-4-2)15-10-7-5-6-8(13)11(10)14/h5-7,9,15H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2,3-dichloroanilino)butanoate?
ethyl 2-(2,3-dichloroanilino)butanoate has a molecular weight of 276.16 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dichloroanilino)butanoate is sourced from PubChem (CID 64667551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).