2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide

C15H19Cl2NO3 — CID 43009787

IUPAC2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1OCC
InChIInChI=1S/C15H19Cl2NO3/c1-4-20-11-7-6-10(8-12(11)21-5-2)18-13(19)14(3)9-15(14,16)17/h6-8H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyLNBLVAWVOANAMZ-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.01
Rot. Bonds6

About 2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 43009787) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide
PubChem CID43009787
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1OCC
InChIInChI=1S/C15H19Cl2NO3/c1-4-20-11-7-6-10(8-12(11)21-5-2)18-13(19)14(3)9-15(14,16)17/h6-8H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyLNBLVAWVOANAMZ-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1S)-2,2-dichloro-N-(4-ethoxy-3-methoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 39911745
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 46552870
1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115452599
N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618116
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
CID 42910446
2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide
CID 42910477
methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate
CID 51983589
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide (CID 43009787) is 2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide is CCOc1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1OCC.
What is the InChIKey of 2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is LNBLVAWVOANAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-4-20-11-7-6-10(8-12(11)21-5-2)18-13(19)14(3)9-15(14,16)17/h6-8H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of 2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 332.23 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43009787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).