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

C13H17Cl2FN2O — CID 43567768

IUPAC2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H17Cl2FN2O/c1-7(2)18-11(19)6-17-8(3)12-9(14)4-5-10(16)13(12)15/h4-5,7-8,17H,6H2,1-3H3,(H,18,19)
InChIKeyZNUPWXLCIGWHGF-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.31
Rot. Bonds5

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

2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 43567768) has the molecular formula C13H17Cl2FN2O and a molecular weight of 307.20 g/mol. Its IUPAC name is 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
PubChem CID43567768
Molecular FormulaC13H17Cl2FN2O
Molecular Weight307.20 g/mol
Exact Mass306.07
IUPAC Name2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H17Cl2FN2O/c1-7(2)18-11(19)6-17-8(3)12-9(14)4-5-10(16)13(12)15/h4-5,7-8,17H,6H2,1-3H3,(H,18,19)
InChIKeyZNUPWXLCIGWHGF-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
CID 43545191
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-(2,6-dichloro-3-fluorophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 115709508
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 86813916
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
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
1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine
CID 55259288
(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-propan-2-yl-2-[1-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 43398085

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide (CID 43567768) is 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(C)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is ZNUPWXLCIGWHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2FN2O/c1-7(2)18-11(19)6-17-8(3)12-9(14)4-5-10(16)13(12)15/h4-5,7-8,17H,6H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 307.20 g/mol, XLogP of 3.31, 5 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-propan-2-ylacetamide is sourced from PubChem (CID 43567768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).