2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide

C16H21FN2O3 — CID 111464107

IUPAC2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)Cc1cccc(F)c1)NCC1CCCC1O
InChIInChI=1S/C16H21FN2O3/c17-13-5-1-3-11(7-13)8-15(21)19-10-16(22)18-9-12-4-2-6-14(12)20/h1,3,5,7,12,14,20H,2,4,6,8-10H2,(H,18,22)(H,19,21)
InChIKeyGMYBRVITQHQPLI-UHFFFAOYSA-N
MW308.35 g/mol
LogP0.76
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide

2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide (PubChem CID 111464107) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide
PubChem CID111464107
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)Cc1cccc(F)c1)NCC1CCCC1O
InChIInChI=1S/C16H21FN2O3/c17-13-5-1-3-11(7-13)8-15(21)19-10-16(22)18-9-12-4-2-6-14(12)20/h1,3,5,7,12,14,20H,2,4,6,8-10H2,(H,18,22)(H,19,21)
InChIKeyGMYBRVITQHQPLI-UHFFFAOYSA-N
XLogP0.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
CID 119461967
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
trans-(1R,2S)-2-[[[2-(3-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 154807680
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
2-(3-fluorophenyl)-N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305010
2-(3-fluorophenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 120573514
N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide
CID 106366080
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119590413
2-(6-fluoro-1H-indol-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464326
2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119501890
N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55828959
2-(3-fluorophenyl)-N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]acetamide
CID 55789223

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide (CID 111464107) is 2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide is O=C(CNC(=O)Cc1cccc(F)c1)NCC1CCCC1O.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide?
The InChIKey is GMYBRVITQHQPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c17-13-5-1-3-11(7-13)8-15(21)19-10-16(22)18-9-12-4-2-6-14(12)20/h1,3,5,7,12,14,20H,2,4,6,8-10H2,(H,18,22)(H,19,21).
What are the key properties of 2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide?
2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide has a molecular weight of 308.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 111464107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).