N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide

C17H25FN2O2 — CID 109398197

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
SMILESCc1ccc(CNC(=O)CN(C)CC2CCCC2O)cc1F
InChIInChI=1S/C17H25FN2O2/c1-12-6-7-13(8-15(12)18)9-19-17(22)11-20(2)10-14-4-3-5-16(14)21/h6-8,14,16,21H,3-5,9-11H2,1-2H3,(H,19,22)
InChIKeyXWOCKAIHTDPDOP-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.84
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide (PubChem CID 109398197) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
PubChem CID109398197
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
SMILESCc1ccc(CNC(=O)CN(C)CC2CCCC2O)cc1F
InChIInChI=1S/C17H25FN2O2/c1-12-6-7-13(8-15(12)18)9-19-17(22)11-20(2)10-14-4-3-5-16(14)21/h6-8,14,16,21H,3-5,9-11H2,1-2H3,(H,19,22)
InChIKeyXWOCKAIHTDPDOP-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488603
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 109398438
2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 41378355
N-[(3-fluoro-4-methylphenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855911
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-phenacylacetamide
CID 109397769
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 109397833
2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 64616556
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 109398057
N-(2,5-dichlorophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398107
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-pyridin-4-ylacetamide
CID 109397956
2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 134046292

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide (CID 109398197) is N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide is Cc1ccc(CNC(=O)CN(C)CC2CCCC2O)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
The InChIKey is XWOCKAIHTDPDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12-6-7-13(8-15(12)18)9-19-17(22)11-20(2)10-14-4-3-5-16(14)21/h6-8,14,16,21H,3-5,9-11H2,1-2H3,(H,19,22).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide has a molecular weight of 308.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide is sourced from PubChem (CID 109398197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).