2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide

C13H15Cl2NO2 — CID 78879212

IUPAC2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CC2(Cl)Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-18-10-4-2-3-9(7-10)5-6-16-12(17)11-8-13(11,14)15/h2-4,7,11H,5-6,8H2,1H3,(H,16,17)
InChIKeyQFVLDMPUDPCQRI-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.55
Rot. Bonds5

About 2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide

2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 78879212) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID78879212
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CC2(Cl)Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-18-10-4-2-3-9(7-10)5-6-16-12(17)11-8-13(11,14)15/h2-4,7,11H,5-6,8H2,1H3,(H,16,17)
InChIKeyQFVLDMPUDPCQRI-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.55
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

N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
(3-methoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate
CID 78790601
2-N-butyl-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131252
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 107846631
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130661
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94178640
6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45168104

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (CID 78879212) is 2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is COc1cccc(CCNC(=O)C2CC2(Cl)Cl)c1.
What is the InChIKey of 2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is QFVLDMPUDPCQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-18-10-4-2-3-9(7-10)5-6-16-12(17)11-8-13(11,14)15/h2-4,7,11H,5-6,8H2,1H3,(H,16,17).
What are the key properties of 2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 288.17 g/mol, XLogP of 2.55, 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-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78879212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).