2,2-dichloro-N-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide

C10H17Cl2NO2 — CID 111695650

IUPAC2,2-dichloro-N-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C10H17Cl2NO2/c1-7(14)4-5-13(3)8(15)9(2)6-10(9,11)12/h7,14H,4-6H2,1-3H3
InChIKeyBJWIONSUIBQYLV-UHFFFAOYSA-N
MW254.16 g/mol
LogP1.80
Rot. Bonds4

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

2,2-dichloro-N-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide (PubChem CID 111695650) has the molecular formula C10H17Cl2NO2 and a molecular weight of 254.16 g/mol. Its IUPAC name is 2,2-dichloro-N-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide
PubChem CID111695650
Molecular FormulaC10H17Cl2NO2
Molecular Weight254.16 g/mol
Exact Mass253.06
IUPAC Name2,2-dichloro-N-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C10H17Cl2NO2/c1-7(14)4-5-13(3)8(15)9(2)6-10(9,11)12/h7,14H,4-6H2,1-3H3
InChIKeyBJWIONSUIBQYLV-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 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 ≤ 51.80
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-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide (CID 111695650) is 2,2-dichloro-N-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide is CC(O)CCN(C)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide?
The InChIKey is BJWIONSUIBQYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO2/c1-7(14)4-5-13(3)8(15)9(2)6-10(9,11)12/h7,14H,4-6H2,1-3H3.
What are the key properties of 2,2-dichloro-N-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide?
2,2-dichloro-N-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide has a molecular weight of 254.16 g/mol, XLogP of 1.80, 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-(3-hydroxybutyl)-N,1-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 111695650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).