2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate

C8H13Cl2NO4 — CID 15287413

IUPAC2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate
SMILESO=C(CCl)OCCN(CCO)C(=O)CCl
InChIInChI=1S/C8H13Cl2NO4/c9-5-7(13)11(1-3-12)2-4-15-8(14)6-10/h12H,1-6H2
InChIKeyXPZZCSLAZNHOSY-UHFFFAOYSA-N
MW258.10 g/mol
LogP-0.17
Rot. Bonds7

About 2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate

2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate (PubChem CID 15287413) has the molecular formula C8H13Cl2NO4 and a molecular weight of 258.10 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate
PubChem CID15287413
Molecular FormulaC8H13Cl2NO4
Molecular Weight258.10 g/mol
Exact Mass257.02
IUPAC Name2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate
SMILESO=C(CCl)OCCN(CCO)C(=O)CCl
InChIInChI=1S/C8H13Cl2NO4/c9-5-7(13)11(1-3-12)2-4-15-8(14)6-10/h12H,1-6H2
InChIKeyXPZZCSLAZNHOSY-UHFFFAOYSA-N
XLogP-0.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 60981148
[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate
CID 131718524
4-chloro-N,N-bis(2-hydroxyethyl)butanamide
CID 63307970
2-[[10-[bis(2-hydroxyethyl)amino]-10-oxodecanoyl]-(2-hydroxyethyl)amino]ethyl 3-ethylheptanoate
CID 88931085
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloroacetamide
CID 15287415
ethyl 2-chloroacetate
CID 7751
2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate
CID 25113253
2-[2-hydroxyethyl(methyl)amino]ethyl propanoate
CID 123682095
2-(carbamoylamino)ethyl 2-chloroacetate
CID 21179128
N,N-bis(2-hydroxyethyl)-2-methoxyacetamide;ethane
CID 145142021
N-(2-hydroxyethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 115772576
2-chloro-N,N-di(nonyl)acetamide
CID 533173

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate?
The IUPAC name of 2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate (CID 15287413) is 2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate.
What is the SMILES notation for 2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate?
The canonical SMILES for 2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate is O=C(CCl)OCCN(CCO)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate?
The InChIKey is XPZZCSLAZNHOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO4/c9-5-7(13)11(1-3-12)2-4-15-8(14)6-10/h12H,1-6H2.
What are the key properties of 2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate?
2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate has a molecular weight of 258.10 g/mol, XLogP of -0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate is sourced from PubChem (CID 15287413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).