2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid

C11H12Cl2FNO2 — CID 60928771

IUPAC2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid
SMILESCN(C)C(C)(C(=O)O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-11(10(16)17,15(2)3)6-4-9(14)8(13)5-7(6)12/h4-5H,1-3H3,(H,16,17)
InChIKeyYXQXLYQFCBDXEB-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.99
Rot. Bonds3

About 2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid

2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid (PubChem CID 60928771) has the molecular formula C11H12Cl2FNO2 and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid
PubChem CID60928771
Molecular FormulaC11H12Cl2FNO2
Molecular Weight280.13 g/mol
Exact Mass279.02
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid
SMILESCN(C)C(C)(C(=O)O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-11(10(16)17,15(2)3)6-4-9(14)8(13)5-7(6)12/h4-5H,1-3H3,(H,16,17)
InChIKeyYXQXLYQFCBDXEB-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid 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

2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172
2-(2-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 24258980
(4-Chloro-3-fluorophenyl)[(2-methoxyethyl)(methyl)amino]acetic acid
CID 72838826
2-(3-Chlorophenyl)-2-(dimethylamino)acetic acid hydrochloride
CID 50988471
2-(2-chloro-6-fluorophenyl)-2-(N-methylacetamido)acetic acid
CID 55232396
2-(2-Chloro-6-fluorophenyl)-2-(piperidin-1-yl)acetic acid hydrochloride
CID 75480633
2-(4-Chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid
CID 19958023
2-(4-Chloro-3-fluorophenyl)-2-(methylamino)acetic acid
CID 61650710
2-(2-Chlorophenyl)-2-[[2-(2,6-dichlorophenyl)-3,3,3-trifluoropropanoyl]-methylamino]acetic acid
CID 140373175
2-[4-[[2-(2,4-Dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid
CID 167275749
2-(2-Chloro-6-fluorophenyl)-2-(dimethylamino)acetic acid
CID 24258987
2-(2-Chloro-6-fluorophenyl)-2-(diethylamino)acetic acid
CID 24259014

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid (CID 60928771) is 2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid is CN(C)C(C)(C(=O)O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid?
The InChIKey is YXQXLYQFCBDXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO2/c1-11(10(16)17,15(2)3)6-4-9(14)8(13)5-7(6)12/h4-5H,1-3H3,(H,16,17).
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid?
2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid has a molecular weight of 280.13 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-2-(dimethylamino)propanoic acid is sourced from PubChem (CID 60928771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).