N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide

C16H22ClNO2 — CID 55480704

IUPACN-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C1(C)CCCC1
InChIInChI=1S/C16H22ClNO2/c1-16(8-3-4-9-16)15(19)18(2)10-11-20-14-7-5-6-13(17)12-14/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeySLWBBUJGVRAGMF-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.76
Rot. Bonds5

About N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide (PubChem CID 55480704) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide
PubChem CID55480704
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C1(C)CCCC1
InChIInChI=1S/C16H22ClNO2/c1-16(8-3-4-9-16)15(19)18(2)10-11-20-14-7-5-6-13(17)12-14/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeySLWBBUJGVRAGMF-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 119695349
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 134031079
2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
CID 55431451
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954669

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide (CID 55480704) is N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide is CN(CCOc1cccc(Cl)c1)C(=O)C1(C)CCCC1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide?
The InChIKey is SLWBBUJGVRAGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-16(8-3-4-9-16)15(19)18(2)10-11-20-14-7-5-6-13(17)12-14/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 55480704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).