N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C13H18Cl3FN2O2 — CID 86813916

IUPACN-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)c1c(Cl)ccc(F)c1Cl.Cl
InChIInChI=1S/C13H17Cl2FN2O2.ClH/c1-8(18-11(19)7-17-5-6-20-2)12-9(14)3-4-10(16)13(12)15;/h3-4,8,17H,5-7H2,1-2H3,(H,18,19);1H
InChIKeyCSPDUEOISZETSF-UHFFFAOYSA-N
MW359.66 g/mol
LogP2.97
Rot. Bonds7

About N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 86813916) has the molecular formula C13H18Cl3FN2O2 and a molecular weight of 359.66 g/mol. Its IUPAC name is N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID86813916
Molecular FormulaC13H18Cl3FN2O2
Molecular Weight359.66 g/mol
Exact Mass358.04
IUPAC NameN-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)c1c(Cl)ccc(F)c1Cl.Cl
InChIInChI=1S/C13H17Cl2FN2O2.ClH/c1-8(18-11(19)7-17-5-6-20-2)12-9(14)3-4-10(16)13(12)15;/h3-4,8,17H,5-7H2,1-2H3,(H,18,19);1H
InChIKeyCSPDUEOISZETSF-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.66
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120986789
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119683876
N-[1-(3,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119686021
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567768
methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate
CID 43545015
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 81371825
N-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119748317
N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119804666
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
CID 43545191
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
CID 43545181
(2S)-1-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 122131753
N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide
CID 119730916

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 86813916) is N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NC(C)c1c(Cl)ccc(F)c1Cl.Cl.
What is the InChIKey of N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is CSPDUEOISZETSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2FN2O2.ClH/c1-8(18-11(19)7-17-5-6-20-2)12-9(14)3-4-10(16)13(12)15;/h3-4,8,17H,5-7H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 359.66 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 86813916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).