2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide

C10H14Cl4N2O2 — CID 897552

IUPAC2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide
SMILESO=C(NC1CCC(NC(=O)C(Cl)Cl)CC1)C(Cl)Cl
InChIInChI=1S/C10H14Cl4N2O2/c11-7(12)9(17)15-5-1-2-6(4-3-5)16-10(18)8(13)14/h5-8H,1-4H2,(H,15,17)(H,16,18)
InChIKeyBHEPLVNETLYEMA-UHFFFAOYSA-N
MW336.05 g/mol
LogP2.14
Rot. Bonds4

About 2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide

2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide (PubChem CID 897552) has the molecular formula C10H14Cl4N2O2 and a molecular weight of 336.05 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide
PubChem CID897552
Molecular FormulaC10H14Cl4N2O2
Molecular Weight336.05 g/mol
Exact Mass333.98
IUPAC Name2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide
SMILESO=C(NC1CCC(NC(=O)C(Cl)Cl)CC1)C(Cl)Cl
InChIInChI=1S/C10H14Cl4N2O2/c11-7(12)9(17)15-5-1-2-6(4-3-5)16-10(18)8(13)14/h5-8H,1-4H2,(H,15,17)(H,16,18)
InChIKeyBHEPLVNETLYEMA-UHFFFAOYSA-N
XLogP2.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.05
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide (CID 897552) is 2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide is O=C(NC1CCC(NC(=O)C(Cl)Cl)CC1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide?
The InChIKey is BHEPLVNETLYEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl4N2O2/c11-7(12)9(17)15-5-1-2-6(4-3-5)16-10(18)8(13)14/h5-8H,1-4H2,(H,15,17)(H,16,18).
What are the key properties of 2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide?
2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide has a molecular weight of 336.05 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-[(2,2-dichloroacetyl)amino]cyclohexyl]acetamide is sourced from PubChem (CID 897552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).