2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide

C15H11Cl3N2O — CID 4587396

IUPAC2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccn1)C1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C15H11Cl3N2O/c16-11-6-7-19-12(8-11)20-13(21)14(9-15(14,17)18)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20,21)
InChIKeyACXBEPYLGCXLKV-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.19
Rot. Bonds3

About 2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide

2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 4587396) has the molecular formula C15H11Cl3N2O and a molecular weight of 341.63 g/mol. Its IUPAC name is 2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID4587396
Molecular FormulaC15H11Cl3N2O
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccn1)C1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C15H11Cl3N2O/c16-11-6-7-19-12(8-11)20-13(21)14(9-15(14,17)18)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20,21)
InChIKeyACXBEPYLGCXLKV-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.19
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-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide (CID 4587396) is 2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide is O=C(Nc1cc(Cl)ccn1)C1(c2ccccc2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is ACXBEPYLGCXLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O/c16-11-6-7-19-12(8-11)20-13(21)14(9-15(14,17)18)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20,21).
What are the key properties of 2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 341.63 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(4-chloro-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 4587396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).