2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid

C12H15Cl2NO2 — CID 43803710

IUPAC2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid
SMILESCCN(CC)C(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-3-15(4-2)11(12(16)17)8-5-6-9(13)10(14)7-8/h5-7,11H,3-4H2,1-2H3,(H,16,17)
InChIKeyMLWVFVQLXGERIM-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.46
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid

2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid (PubChem CID 43803710) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid
PubChem CID43803710
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid
SMILESCCN(CC)C(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-3-15(4-2)11(12(16)17)8-5-6-9(13)10(14)7-8/h5-7,11H,3-4H2,1-2H3,(H,16,17)
InChIKeyMLWVFVQLXGERIM-UHFFFAOYSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid (CID 43803710) is 2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid is CCN(CC)C(C(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid?
The InChIKey is MLWVFVQLXGERIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-3-15(4-2)11(12(16)17)8-5-6-9(13)10(14)7-8/h5-7,11H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid?
2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid has a molecular weight of 276.16 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(diethylamino)acetic acid is sourced from PubChem (CID 43803710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).