2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide

C12H14Cl2N2O — CID 78837741

IUPAC2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC2(Cl)Cl)c(C)n1
InChIInChI=1S/C12H14Cl2N2O/c1-6-4-7(2)15-8(3)10(6)16-11(17)9-5-12(9,13)14/h4,9H,5H2,1-3H3,(H,16,17)
InChIKeyGFHIFMVJFUZZJM-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.14
Rot. Bonds2

About 2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide

2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 78837741) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID78837741
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC2(Cl)Cl)c(C)n1
InChIInChI=1S/C12H14Cl2N2O/c1-6-4-7(2)15-8(3)10(6)16-11(17)9-5-12(9,13)14/h4,9H,5H2,1-3H3,(H,16,17)
InChIKeyGFHIFMVJFUZZJM-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.14
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-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide (CID 78837741) is 2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide is Cc1cc(C)c(NC(=O)C2CC2(Cl)Cl)c(C)n1.
What is the InChIKey of 2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is GFHIFMVJFUZZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-6-4-7(2)15-8(3)10(6)16-11(17)9-5-12(9,13)14/h4,9H,5H2,1-3H3,(H,16,17).
What are the key properties of 2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78837741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).