1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide

C13H17ClN2O2 — CID 65464035

IUPAC1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C1(N)CC1
InChIInChI=1S/C13H17ClN2O2/c1-16(12(17)13(15)5-6-13)7-8-18-11-4-2-3-10(14)9-11/h2-4,9H,5-8,15H2,1H3
InChIKeyIJNVAIPILIBKAQ-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.67
Rot. Bonds5

About 1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide

1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 65464035) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID65464035
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C1(N)CC1
InChIInChI=1S/C13H17ClN2O2/c1-16(12(17)13(15)5-6-13)7-8-18-11-4-2-3-10(14)9-11/h2-4,9H,5-8,15H2,1H3
InChIKeyIJNVAIPILIBKAQ-UHFFFAOYSA-N
XLogP1.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide
CID 55480704
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 119695349
1-amino-N-[3-(4-chlorophenoxy)propyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119739903
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61138440
N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide
CID 55996825
2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
CID 55431451
1-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173078
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide (CID 65464035) is 1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide is CN(CCOc1cccc(Cl)c1)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is IJNVAIPILIBKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(12(17)13(15)5-6-13)7-8-18-11-4-2-3-10(14)9-11/h2-4,9H,5-8,15H2,1H3.
What are the key properties of 1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide?
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 65464035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).