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

C15H18Cl2N2O — CID 11162768

IUPAC3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2C(C=C(Cl)Cl)C2(C)C)nc1
InChIInChI=1S/C15H18Cl2N2O/c1-9-4-5-10(18-7-9)8-19-14(20)13-11(6-12(16)17)15(13,2)3/h4-7,11,13H,8H2,1-3H3,(H,19,20)
InChIKeyLKIYUYALQXRUIV-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.60
Rot. Bonds4

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

3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 11162768) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID11162768
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2C(C=C(Cl)Cl)C2(C)C)nc1
InChIInChI=1S/C15H18Cl2N2O/c1-9-4-5-10(18-7-9)8-19-14(20)13-11(6-12(16)17)15(13,2)3/h4-7,11,13H,8H2,1-3H3,(H,19,20)
InChIKeyLKIYUYALQXRUIV-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.60
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)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 11162768) is 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide is Cc1ccc(CNC(=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)methyl]cyclopropane-1-carboxamide?
The InChIKey is LKIYUYALQXRUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c1-9-4-5-10(18-7-9)8-19-14(20)13-11(6-12(16)17)15(13,2)3/h4-7,11,13H,8H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 313.23 g/mol, XLogP of 3.60, 4 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)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 11162768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).