3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide

C14H16Cl2N2O — CID 11243487

IUPAC3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2C(C=C(Cl)Cl)C2(C)C)nc1
InChIInChI=1S/C14H16Cl2N2O/c1-8-4-5-11(17-7-8)18-13(19)12-9(6-10(15)16)14(12,2)3/h4-7,9,12H,1-3H3,(H,17,18,19)
InChIKeyQFADFFVWGZQZPM-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.92
Rot. Bonds3

About 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide

3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 11243487) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID11243487
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2C(C=C(Cl)Cl)C2(C)C)nc1
InChIInChI=1S/C14H16Cl2N2O/c1-8-4-5-11(17-7-8)18-13(19)12-9(6-10(15)16)14(12,2)3/h4-7,9,12H,1-3H3,(H,17,18,19)
InChIKeyQFADFFVWGZQZPM-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide (CID 11243487) is 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2C(C=C(Cl)Cl)C2(C)C)nc1.
What is the InChIKey of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is QFADFFVWGZQZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-8-4-5-11(17-7-8)18-13(19)12-9(6-10(15)16)14(12,2)3/h4-7,9,12H,1-3H3,(H,17,18,19).
What are the key properties of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 299.20 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 11243487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).