N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide

C17H25FN2O2 — CID 109397881

IUPACN-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
SMILESCC(C(=O)NCc1ccccc1F)N(C)CC1CCCC1O
InChIInChI=1S/C17H25FN2O2/c1-12(20(2)11-14-7-5-9-16(14)21)17(22)19-10-13-6-3-4-8-15(13)18/h3-4,6,8,12,14,16,21H,5,7,9-11H2,1-2H3,(H,19,22)
InChIKeyGZBRTHBKNAXEHM-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.92
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide

N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide (PubChem CID 109397881) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
PubChem CID109397881
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
SMILESCC(C(=O)NCc1ccccc1F)N(C)CC1CCCC1O
InChIInChI=1S/C17H25FN2O2/c1-12(20(2)11-14-7-5-9-16(14)21)17(22)19-10-13-6-3-4-8-15(13)18/h3-4,6,8,12,14,16,21H,5,7,9-11H2,1-2H3,(H,19,22)
InChIKeyGZBRTHBKNAXEHM-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide
CID 95262158
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 109397933
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 109398067
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 109398085
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide
CID 109398455
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
(2S)-2-acetamido-2-cyclopentyl-N-[(2-fluorophenyl)methyl]acetamide
CID 27147840
2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 110923577
3-[(2-fluorophenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897168
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 86931168
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53285802
2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 109398298

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide (CID 109397881) is N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide is CC(C(=O)NCc1ccccc1F)N(C)CC1CCCC1O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide?
The InChIKey is GZBRTHBKNAXEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12(20(2)11-14-7-5-9-16(14)21)17(22)19-10-13-6-3-4-8-15(13)18/h3-4,6,8,12,14,16,21H,5,7,9-11H2,1-2H3,(H,19,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide?
N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide has a molecular weight of 308.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide is sourced from PubChem (CID 109397881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).