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

C14H17Cl2NO2 — CID 78846846

IUPAC2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)N(C)C(=O)C2CC2(Cl)Cl)cc1
InChIInChI=1S/C14H17Cl2NO2/c1-9(10-4-6-11(19-3)7-5-10)17(2)13(18)12-8-14(12,15)16/h4-7,9,12H,8H2,1-3H3
InChIKeyAURGMFZXBAJOFW-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.41
Rot. Bonds4

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

2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 78846846) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID78846846
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)N(C)C(=O)C2CC2(Cl)Cl)cc1
InChIInChI=1S/C14H17Cl2NO2/c1-9(10-4-6-11(19-3)7-5-10)17(2)13(18)12-8-14(12,15)16/h4-7,9,12H,8H2,1-3H3
InChIKeyAURGMFZXBAJOFW-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 75493520
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 119704697
(4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate
CID 20723585
(1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 7959638
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119704713
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde
CID 165107258
(2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 166607004
3-[1-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65071757
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937
N-[1-(4-bromophenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 163259808
(2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide
CID 97220924

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide (CID 78846846) is 2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide is COc1ccc(C(C)N(C)C(=O)C2CC2(Cl)Cl)cc1.
What is the InChIKey of 2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is AURGMFZXBAJOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-9(10-4-6-11(19-3)7-5-10)17(2)13(18)12-8-14(12,15)16/h4-7,9,12H,8H2,1-3H3.
What are the key properties of 2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 78846846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).