2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide

C11H13Cl2FN2O — CID 43545191

IUPAC2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
SMILESCNC(=O)CNC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C11H13Cl2FN2O/c1-6(16-5-9(17)15-2)10-7(12)3-4-8(14)11(10)13/h3-4,6,16H,5H2,1-2H3,(H,15,17)
InChIKeyFMELIXHMLOTWED-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.53
Rot. Bonds4

About 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide

2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide (PubChem CID 43545191) has the molecular formula C11H13Cl2FN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
PubChem CID43545191
Molecular FormulaC11H13Cl2FN2O
Molecular Weight279.14 g/mol
Exact Mass278.04
IUPAC Name2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
SMILESCNC(=O)CNC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C11H13Cl2FN2O/c1-6(16-5-9(17)15-2)10-7(12)3-4-8(14)11(10)13/h3-4,6,16H,5H2,1-2H3,(H,15,17)
InChIKeyFMELIXHMLOTWED-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide 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-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567768
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
CID 43545181
methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate
CID 43545015
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 115709508
3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide
CID 60925290
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol
CID 65105547
(2S)-1-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 122131753
ethyl 4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]butanoate
CID 64578328
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 86813916
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548563

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide?
The IUPAC name of 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide (CID 43545191) is 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide is CNC(=O)CNC(C)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide?
The InChIKey is FMELIXHMLOTWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2O/c1-6(16-5-9(17)15-2)10-7(12)3-4-8(14)11(10)13/h3-4,6,16H,5H2,1-2H3,(H,15,17).
What are the key properties of 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide?
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide has a molecular weight of 279.14 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide is sourced from PubChem (CID 43545191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).