2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide

C16H23ClN2O2 — CID 115952913

IUPAC2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
SMILESCCNCc1cccc(Cl)c1OCC(=O)NC1CCCC1
InChIInChI=1S/C16H23ClN2O2/c1-2-18-10-12-6-5-9-14(17)16(12)21-11-15(20)19-13-7-3-4-8-13/h5-6,9,13,18H,2-4,7-8,10-11H2,1H3,(H,19,20)
InChIKeyMTNBMVICDQEISP-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.89
Rot. Bonds7

About 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide

2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide (PubChem CID 115952913) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
PubChem CID115952913
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
SMILESCCNCc1cccc(Cl)c1OCC(=O)NC1CCCC1
InChIInChI=1S/C16H23ClN2O2/c1-2-18-10-12-6-5-9-14(17)16(12)21-11-15(20)19-13-7-3-4-8-13/h5-6,9,13,18H,2-4,7-8,10-11H2,1H3,(H,19,20)
InChIKeyMTNBMVICDQEISP-UHFFFAOYSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide
CID 115953044
methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate
CID 122142322
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 112609262
N-cyclopropyl-2-[2-methoxy-6-(propylaminomethyl)phenoxy]acetamide
CID 43472022
N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 115953806
2-[2-(aminomethyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 112607289
N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911151
2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide
CID 91662652
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 112610545

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide?
The IUPAC name of 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide (CID 115952913) is 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide?
The canonical SMILES for 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide is CCNCc1cccc(Cl)c1OCC(=O)NC1CCCC1.
What is the InChIKey of 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide?
The InChIKey is MTNBMVICDQEISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-18-10-12-6-5-9-14(17)16(12)21-11-15(20)19-13-7-3-4-8-13/h5-6,9,13,18H,2-4,7-8,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide?
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide has a molecular weight of 310.82 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide is sourced from PubChem (CID 115952913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).