ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate

C16H15Cl2NO2 — CID 60991921

IUPACethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
SMILESCCOC(=O)C(Nc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO2/c1-2-21-16(20)15(19-12-6-4-3-5-7-12)11-8-9-13(17)14(18)10-11/h3-10,15,19H,2H2,1H3
InChIKeyPSBYRFLIZIQKCY-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.71
Rot. Bonds5

About ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate

ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate (PubChem CID 60991921) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
PubChem CID60991921
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Nameethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
SMILESCCOC(=O)C(Nc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO2/c1-2-21-16(20)15(19-12-6-4-3-5-7-12)11-8-9-13(17)14(18)10-11/h3-10,15,19H,2H2,1H3
InChIKeyPSBYRFLIZIQKCY-UHFFFAOYSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-anilino-2-(4-bromophenyl)acetate
CID 60992186
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate
CID 54908339
ethyl (2S)-2-anilino-2-(4-cyanophenyl)acetate
CID 86338761
methyl 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)acetate
CID 63524457
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 3-amino-2-(3,4-dichlorophenyl)-3-oxopropanoate
CID 70584243
2-anilino-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026961
methyl 2-anilino-2-(3,4-dimethylphenyl)acetate
CID 60990951
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 60995627
ethyl (2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)acetate
CID 134946729
2-(3-chloroanilino)-2-(3,4-dichlorophenyl)acetamide
CID 61005060

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate?
The IUPAC name of ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate (CID 60991921) is ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate is CCOC(=O)C(Nc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate?
The InChIKey is PSBYRFLIZIQKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-2-21-16(20)15(19-12-6-4-3-5-7-12)11-8-9-13(17)14(18)10-11/h3-10,15,19H,2H2,1H3.
What are the key properties of ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate?
ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate has a molecular weight of 324.21 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 60991921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).