2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane

C14H20ClNO2 — CID 142901928

IUPAC2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane
SMILESCC.CON(C)C(=O)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2.C2H6/c1-14(16-2)12(15)11-7-10(11)8-3-5-9(13)6-4-8;1-2/h3-6,10-11H,7H2,1-2H3;1-2H3
InChIKeyWNZSWNKBIIPJDM-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.49
Rot. Bonds3

About 2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane

2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane (PubChem CID 142901928) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane
PubChem CID142901928
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane
SMILESCC.CON(C)C(=O)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2.C2H6/c1-14(16-2)12(15)11-7-10(11)8-3-5-9(13)6-4-8;1-2/h3-6,10-11H,7H2,1-2H3;1-2H3
InChIKeyWNZSWNKBIIPJDM-UHFFFAOYSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane?
The IUPAC name of 2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane (CID 142901928) is 2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane?
The canonical SMILES for 2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane is CC.CON(C)C(=O)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane?
The InChIKey is WNZSWNKBIIPJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2.C2H6/c1-14(16-2)12(15)11-7-10(11)8-3-5-9(13)6-4-8;1-2/h3-6,10-11H,7H2,1-2H3;1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane?
2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane has a molecular weight of 269.77 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane is sourced from PubChem (CID 142901928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).