N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide

C13H17FN2O2 — CID 62917861

IUPACN-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CCC(O)C1
InChIInChI=1S/C13H17FN2O2/c1-9-2-3-10(14)6-12(9)15-13(18)8-16-5-4-11(17)7-16/h2-3,6,11,17H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyKWOUCDIGFYZEQT-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.14
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide

N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide (PubChem CID 62917861) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
PubChem CID62917861
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CCC(O)C1
InChIInChI=1S/C13H17FN2O2/c1-9-2-3-10(14)6-12(9)15-13(18)8-16-5-4-11(17)7-16/h2-3,6,11,17H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyKWOUCDIGFYZEQT-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51454328
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719829
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 21295689
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 81497218
N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide
CID 124844222
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1448805
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
3-amino-1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324973
N-(5-fluoro-2-methylphenyl)-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide
CID 110162295

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide (CID 62917861) is N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide is Cc1ccc(F)cc1NC(=O)CN1CCC(O)C1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The InChIKey is KWOUCDIGFYZEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9-2-3-10(14)6-12(9)15-13(18)8-16-5-4-11(17)7-16/h2-3,6,11,17H,4-5,7-8H2,1H3,(H,15,18).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide has a molecular weight of 252.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 62917861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).