2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide

C10H18Cl2N2O3 — CID 162712779

IUPAC2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide
SMILESCC(COCC(C)NC(=O)CCl)NC(=O)CCl
InChIInChI=1S/C10H18Cl2N2O3/c1-7(13-9(15)3-11)5-17-6-8(2)14-10(16)4-12/h7-8H,3-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVKHKIJLRGCQYPV-UHFFFAOYSA-N
MW285.17 g/mol
LogP0.49
Rot. Bonds8

About 2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide

2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide (PubChem CID 162712779) has the molecular formula C10H18Cl2N2O3 and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide
PubChem CID162712779
Molecular FormulaC10H18Cl2N2O3
Molecular Weight285.17 g/mol
Exact Mass284.07
IUPAC Name2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide
SMILESCC(COCC(C)NC(=O)CCl)NC(=O)CCl
InChIInChI=1S/C10H18Cl2N2O3/c1-7(13-9(15)3-11)5-17-6-8(2)14-10(16)4-12/h7-8H,3-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVKHKIJLRGCQYPV-UHFFFAOYSA-N
XLogP0.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945659
2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide
CID 88772839
2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide
CID 115879988
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842
1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
CID 158499294
[(2S)-2-[(2-chloroacetyl)amino]-3-methylbutyl] 2-chloroacetate
CID 44889096
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
(2R)-2-methoxy-N-[(2R)-1-(2-methylpropoxy)propan-2-yl]propanamide
CID 97016019
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide (CID 162712779) is 2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide is CC(COCC(C)NC(=O)CCl)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide?
The InChIKey is VKHKIJLRGCQYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl2N2O3/c1-7(13-9(15)3-11)5-17-6-8(2)14-10(16)4-12/h7-8H,3-6H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide?
2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide has a molecular weight of 285.17 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide is sourced from PubChem (CID 162712779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).