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

C15H19Cl2NO2 — CID 51292741

IUPAC2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2(C)CC2(Cl)Cl)cc1
InChIInChI=1S/C15H19Cl2NO2/c1-4-20-12-7-5-11(6-8-12)10(2)18-13(19)14(3)9-15(14,16)17/h5-8,10H,4,9H2,1-3H3,(H,18,19)
InChIKeyJCBCEKDBANSTQQ-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.85
Rot. Bonds5

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

2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 51292741) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide
PubChem CID51292741
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2(C)CC2(Cl)Cl)cc1
InChIInChI=1S/C15H19Cl2NO2/c1-4-20-12-7-5-11(6-8-12)10(2)18-13(19)14(3)9-15(14,16)17/h5-8,10H,4,9H2,1-3H3,(H,18,19)
InChIKeyJCBCEKDBANSTQQ-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2-dichloro-1-methyl-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclopropane-1-carboxamide
CID 38917375
N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139806
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 124756785
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 95157068
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
2-(tert-butylamino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 47844270
2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51164492
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide (CID 51292741) is 2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide is CCOc1ccc(C(C)NC(=O)C2(C)CC2(Cl)Cl)cc1.
What is the InChIKey of 2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is JCBCEKDBANSTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-4-20-12-7-5-11(6-8-12)10(2)18-13(19)14(3)9-15(14,16)17/h5-8,10H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 51292741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).