methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate

C11H12Cl2FNO2 — CID 43228865

IUPACmethyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-6(15-5-11(16)17-2)7-3-10(14)9(13)4-8(7)12/h3-4,6,15H,5H2,1-2H3
InChIKeyURXDWTQHYUYNHF-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.96
Rot. Bonds4

About methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate

methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate (PubChem CID 43228865) has the molecular formula C11H12Cl2FNO2 and a molecular weight of 280.13 g/mol. Its IUPAC name is methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
PubChem CID43228865
Molecular FormulaC11H12Cl2FNO2
Molecular Weight280.13 g/mol
Exact Mass279.02
IUPAC Namemethyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-6(15-5-11(16)17-2)7-3-10(14)9(13)4-8(7)12/h3-4,6,15H,5H2,1-2H3
InChIKeyURXDWTQHYUYNHF-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 9377861
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8639848
methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate
CID 43200173
2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide
CID 8639839
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9377633
N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377778
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butanoic acid
CID 60782893
methyl 3-[[2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]-4-methylbenzoate
CID 9377192
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9377837
5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide
CID 103529766
3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol
CID 65032240
methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate
CID 43545015

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate?
The IUPAC name of methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate (CID 43228865) is methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate?
The canonical SMILES for methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate is COC(=O)CNC(C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate?
The InChIKey is URXDWTQHYUYNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO2/c1-6(15-5-11(16)17-2)7-3-10(14)9(13)4-8(7)12/h3-4,6,15H,5H2,1-2H3.
What are the key properties of methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate?
methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate has a molecular weight of 280.13 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate is sourced from PubChem (CID 43228865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).