2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide

C8H14Cl2N2O3 — CID 88772839

IUPAC2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide
SMILESCC(NC(=O)CCl)OC(C)NC(=O)CCl
InChIInChI=1S/C8H14Cl2N2O3/c1-5(11-7(13)3-9)15-6(2)12-8(14)4-10/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyWGEILPFMUWRMAZ-UHFFFAOYSA-N
MW257.12 g/mol
LogP0.41
Rot. Bonds6

About 2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide

2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide (PubChem CID 88772839) has the molecular formula C8H14Cl2N2O3 and a molecular weight of 257.12 g/mol. Its IUPAC name is 2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide
PubChem CID88772839
Molecular FormulaC8H14Cl2N2O3
Molecular Weight257.12 g/mol
Exact Mass256.04
IUPAC Name2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide
SMILESCC(NC(=O)CCl)OC(C)NC(=O)CCl
InChIInChI=1S/C8H14Cl2N2O3/c1-5(11-7(13)3-9)15-6(2)12-8(14)4-10/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyWGEILPFMUWRMAZ-UHFFFAOYSA-N
XLogP0.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide
CID 87981003
2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide
CID 162712779
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945659
(2R,3S)-2-[(2-chloroacetyl)amino]-3-methylpentanoate
CID 86308194
methyl (2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoate
CID 14260838
[(2S)-2-[(2-chloroacetyl)amino]-3-methylbutyl] 2-chloroacetate
CID 44889096
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
(2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoic acid
CID 2795110
methyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 43311461

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide (CID 88772839) is 2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide is CC(NC(=O)CCl)OC(C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide?
The InChIKey is WGEILPFMUWRMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2N2O3/c1-5(11-7(13)3-9)15-6(2)12-8(14)4-10/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide?
2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide has a molecular weight of 257.12 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide is sourced from PubChem (CID 88772839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).