N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide

C14H19FN2O2 — CID 55132319

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESCc1cc(CNC(=O)CN2CCC(O)C2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-10-6-11(2-3-13(10)15)7-16-14(19)9-17-5-4-12(18)8-17/h2-3,6,12,18H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyUGGVQTRHJRPMEA-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.82
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide (PubChem CID 55132319) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
PubChem CID55132319
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESCc1cc(CNC(=O)CN2CCC(O)C2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-10-6-11(2-3-13(10)15)7-16-14(19)9-17-5-4-12(18)8-17/h2-3,6,12,18H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyUGGVQTRHJRPMEA-UHFFFAOYSA-N
XLogP0.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide (CID 55132319) is N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide is Cc1cc(CNC(=O)CN2CCC(O)C2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The InChIKey is UGGVQTRHJRPMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10-6-11(2-3-13(10)15)7-16-14(19)9-17-5-4-12(18)8-17/h2-3,6,12,18H,4-5,7-9H2,1H3,(H,16,19).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide has a molecular weight of 266.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 55132319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).