2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide

C17H25ClN2O2 — CID 91662652

IUPAC2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide
SMILESCCOc1c(Cl)cccc1CC(=O)NC1CCC(N(C)C)C1
InChIInChI=1S/C17H25ClN2O2/c1-4-22-17-12(6-5-7-15(17)18)10-16(21)19-13-8-9-14(11-13)20(2)3/h5-7,13-14H,4,8-11H2,1-3H3,(H,19,21)
InChIKeyQAVGCNVNNVSXBT-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.88
Rot. Bonds6

About 2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide

2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide (PubChem CID 91662652) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide
PubChem CID91662652
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide
SMILESCCOc1c(Cl)cccc1CC(=O)NC1CCC(N(C)C)C1
InChIInChI=1S/C17H25ClN2O2/c1-4-22-17-12(6-5-7-15(17)18)10-16(21)19-13-8-9-14(11-13)20(2)3/h5-7,13-14H,4,8-11H2,1-3H3,(H,19,21)
InChIKeyQAVGCNVNNVSXBT-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
CID 115952913
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 112609936
2-(3-chloro-2-ethoxyphenyl)acetic acid
CID 75525846
methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate
CID 122142322
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115953772
1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110902856
2-(2-chlorophenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549493
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-chloro-2-ethoxy-3-propylbenzene
CID 143260119
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715
3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110903231
2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 139008177

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide?
The IUPAC name of 2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide (CID 91662652) is 2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide is CCOc1c(Cl)cccc1CC(=O)NC1CCC(N(C)C)C1.
What is the InChIKey of 2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide?
The InChIKey is QAVGCNVNNVSXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-4-22-17-12(6-5-7-15(17)18)10-16(21)19-13-8-9-14(11-13)20(2)3/h5-7,13-14H,4,8-11H2,1-3H3,(H,19,21).
What are the key properties of 2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide?
2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide has a molecular weight of 324.85 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide is sourced from PubChem (CID 91662652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).