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

C15H21Cl2FN2O — CID 60925290

IUPAC3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H21Cl2FN2O/c1-4-20(5-2)13(21)8-9-19-10(3)14-11(16)6-7-12(18)15(14)17/h6-7,10,19H,4-5,8-9H2,1-3H3
InChIKeyQLYAJVBLWDYLJM-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.04
Rot. Bonds7

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

3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide (PubChem CID 60925290) has the molecular formula C15H21Cl2FN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide
PubChem CID60925290
Molecular FormulaC15H21Cl2FN2O
Molecular Weight335.25 g/mol
Exact Mass334.10
IUPAC Name3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H21Cl2FN2O/c1-4-20(5-2)13(21)8-9-19-10(3)14-11(16)6-7-12(18)15(14)17/h6-7,10,19H,4-5,8-9H2,1-3H3
InChIKeyQLYAJVBLWDYLJM-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]butanoate
CID 64578328
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
CID 43545181
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567768
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115894601
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
CID 43545191
methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate
CID 43545015
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548563
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 113261722
3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide
CID 54935393
3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide
CID 109030627
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol
CID 65105547
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926168

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide (CID 60925290) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC(C)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide?
The InChIKey is QLYAJVBLWDYLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2FN2O/c1-4-20(5-2)13(21)8-9-19-10(3)14-11(16)6-7-12(18)15(14)17/h6-7,10,19H,4-5,8-9H2,1-3H3.
What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide?
3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide has a molecular weight of 335.25 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 60925290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).