2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide

C10H17Cl2NO2 — CID 59109320

IUPAC2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide
SMILESCOCC(C)NC(=O)C1(C)C(C)C1(Cl)Cl
InChIInChI=1S/C10H17Cl2NO2/c1-6(5-15-4)13-8(14)9(3)7(2)10(9,11)12/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyZOIWTABJZSWRQL-UHFFFAOYSA-N
MW254.16 g/mol
LogP1.97
Rot. Bonds4

About 2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide

2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide (PubChem CID 59109320) has the molecular formula C10H17Cl2NO2 and a molecular weight of 254.16 g/mol. Its IUPAC name is 2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide
PubChem CID59109320
Molecular FormulaC10H17Cl2NO2
Molecular Weight254.16 g/mol
Exact Mass253.06
IUPAC Name2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide
SMILESCOCC(C)NC(=O)C1(C)C(C)C1(Cl)Cl
InChIInChI=1S/C10H17Cl2NO2/c1-6(5-15-4)13-8(14)9(3)7(2)10(9,11)12/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyZOIWTABJZSWRQL-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
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-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide (CID 59109320) is 2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide is COCC(C)NC(=O)C1(C)C(C)C1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide?
The InChIKey is ZOIWTABJZSWRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO2/c1-6(5-15-4)13-8(14)9(3)7(2)10(9,11)12/h6-7H,5H2,1-4H3,(H,13,14).
What are the key properties of 2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide?
2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide has a molecular weight of 254.16 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 59109320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).