2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide

C15H18Cl3NO — CID 18433836

IUPAC2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide
SMILESCCC1(C)C(C(=O)NC(C)c2ccc(Cl)cc2)C1(Cl)Cl
InChIInChI=1S/C15H18Cl3NO/c1-4-14(3)12(15(14,17)18)13(20)19-9(2)10-5-7-11(16)8-6-10/h5-9,12H,4H2,1-3H3,(H,19,20)
InChIKeyOTXXTYDYQFUBOO-UHFFFAOYSA-N
MW334.67 g/mol
LogP4.74
Rot. Bonds4

About 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide (PubChem CID 18433836) has the molecular formula C15H18Cl3NO and a molecular weight of 334.67 g/mol. Its IUPAC name is 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide
PubChem CID18433836
Molecular FormulaC15H18Cl3NO
Molecular Weight334.67 g/mol
Exact Mass333.05
IUPAC Name2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide
SMILESCCC1(C)C(C(=O)NC(C)c2ccc(Cl)cc2)C1(Cl)Cl
InChIInChI=1S/C15H18Cl3NO/c1-4-14(3)12(15(14,17)18)13(20)19-9(2)10-5-7-11(16)8-6-10/h5-9,12H,4H2,1-3H3,(H,19,20)
InChIKeyOTXXTYDYQFUBOO-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.67
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide (CID 18433836) is 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide is CCC1(C)C(C(=O)NC(C)c2ccc(Cl)cc2)C1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide?
The InChIKey is OTXXTYDYQFUBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl3NO/c1-4-14(3)12(15(14,17)18)13(20)19-9(2)10-5-7-11(16)8-6-10/h5-9,12H,4H2,1-3H3,(H,19,20).
What are the key properties of 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide has a molecular weight of 334.67 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 18433836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).