3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide

C22H27FN2O2 — CID 118774604

IUPAC3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(c3cccc(F)c3)CCCC2)cc1OCCN
InChIInChI=1S/C22H27FN2O2/c1-16-7-8-17(13-20(16)27-12-11-24)21(26)25-15-22(9-2-3-10-22)18-5-4-6-19(23)14-18/h4-8,13-14H,2-3,9-12,15,24H2,1H3,(H,25,26)
InChIKeyUEUSPVMWGIEIPN-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.71
Rot. Bonds7

About 3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide

3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide (PubChem CID 118774604) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide
PubChem CID118774604
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(c3cccc(F)c3)CCCC2)cc1OCCN
InChIInChI=1S/C22H27FN2O2/c1-16-7-8-17(13-20(16)27-12-11-24)21(26)25-15-22(9-2-3-10-22)18-5-4-6-19(23)14-18/h4-8,13-14H,2-3,9-12,15,24H2,1H3,(H,25,26)
InChIKeyUEUSPVMWGIEIPN-UHFFFAOYSA-N
XLogP3.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 110482056
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 77090690
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617
3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide
CID 118794228
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 132968647
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
N-[2-[[N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111638942
5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide
CID 118791601

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide (CID 118774604) is 3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2(c3cccc(F)c3)CCCC2)cc1OCCN.
What is the InChIKey of 3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide?
The InChIKey is UEUSPVMWGIEIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-16-7-8-17(13-20(16)27-12-11-24)21(26)25-15-22(9-2-3-10-22)18-5-4-6-19(23)14-18/h4-8,13-14H,2-3,9-12,15,24H2,1H3,(H,25,26).
What are the key properties of 3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide?
3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide has a molecular weight of 370.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 118774604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).