N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide

C10H17Cl2NO — CID 21417880

IUPACN-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1C(C)(C)C1(Cl)Cl
InChIInChI=1S/C10H17Cl2NO/c1-8(2,3)13-7(14)6-9(4,5)10(6,11)12/h6H,1-5H3,(H,13,14)
InChIKeySFGUOHLYRDZQLU-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.73
Rot. Bonds1

About N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide

N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide (PubChem CID 21417880) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide
PubChem CID21417880
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC NameN-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1C(C)(C)C1(Cl)Cl
InChIInChI=1S/C10H17Cl2NO/c1-8(2,3)13-7(14)6-9(4,5)10(6,11)12/h6H,1-5H3,(H,13,14)
InChIKeySFGUOHLYRDZQLU-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide (CID 21417880) is N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide is CC(C)(C)NC(=O)C1C(C)(C)C1(Cl)Cl.
What is the InChIKey of N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide?
The InChIKey is SFGUOHLYRDZQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c1-8(2,3)13-7(14)6-9(4,5)10(6,11)12/h6H,1-5H3,(H,13,14).
What are the key properties of N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide?
N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide has a molecular weight of 238.16 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 21417880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).