N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide

C14H15Cl3N2O — CID 11393458

IUPACN-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)NCc1ccnc(Cl)c1
InChIInChI=1S/C14H15Cl3N2O/c1-14(2)9(6-10(15)16)12(14)13(20)19-7-8-3-4-18-11(17)5-8/h3-6,9,12H,7H2,1-2H3,(H,19,20)
InChIKeyQNJRCXAGFZTOQO-UHFFFAOYSA-N
MW333.65 g/mol
LogP3.94
Rot. Bonds4

About N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide

N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 11393458) has the molecular formula C14H15Cl3N2O and a molecular weight of 333.65 g/mol. Its IUPAC name is N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID11393458
Molecular FormulaC14H15Cl3N2O
Molecular Weight333.65 g/mol
Exact Mass332.02
IUPAC NameN-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)NCc1ccnc(Cl)c1
InChIInChI=1S/C14H15Cl3N2O/c1-14(2)9(6-10(15)16)12(14)13(20)19-7-8-3-4-18-11(17)5-8/h3-6,9,12H,7H2,1-2H3,(H,19,20)
InChIKeyQNJRCXAGFZTOQO-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 11393458) is N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)C(C=C(Cl)Cl)C1C(=O)NCc1ccnc(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is QNJRCXAGFZTOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N2O/c1-14(2)9(6-10(15)16)12(14)13(20)19-7-8-3-4-18-11(17)5-8/h3-6,9,12H,7H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 333.65 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-pyridinyl)methyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 11393458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).