2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide

C14H17Cl2NO2 — CID 78818876

IUPAC2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)C2CC2(Cl)Cl)cc1
InChIInChI=1S/C14H17Cl2NO2/c1-10-3-5-11(6-4-10)19-8-7-17(2)13(18)12-9-14(12,15)16/h3-6,12H,7-9H2,1-2H3
InChIKeyKSMLEUPPORSYKA-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.03
Rot. Bonds5

About 2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide

2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide (PubChem CID 78818876) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
PubChem CID78818876
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)C2CC2(Cl)Cl)cc1
InChIInChI=1S/C14H17Cl2NO2/c1-10-3-5-11(6-4-10)19-8-7-17(2)13(18)12-9-14(12,15)16/h3-6,12H,7-9H2,1-2H3
InChIKeyKSMLEUPPORSYKA-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.03
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

N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274400
(4R)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 95415189
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
(2S,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51866938
2-[(1R)-cyclopent-2-en-1-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 51925470
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
(2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120920116
(2S)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 31641558
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 86916962
6-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45227039

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide (CID 78818876) is 2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide is Cc1ccc(OCCN(C)C(=O)C2CC2(Cl)Cl)cc1.
What is the InChIKey of 2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide?
The InChIKey is KSMLEUPPORSYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-10-3-5-11(6-4-10)19-8-7-17(2)13(18)12-9-14(12,15)16/h3-6,12H,7-9H2,1-2H3.
What are the key properties of 2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78818876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).