2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide

C13H17FN2O2 — CID 60710779

IUPAC2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2/c14-10-5-3-9(4-6-10)12(13(15)17)16-8-11-2-1-7-18-11/h3-6,11-12,16H,1-2,7-8H2,(H2,15,17)
InChIKeyKAWHSOYNGPPPNO-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.12
Rot. Bonds5

About 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide

2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 60710779) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID60710779
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2/c14-10-5-3-9(4-6-10)12(13(15)17)16-8-11-2-1-7-18-11/h3-6,11-12,16H,1-2,7-8H2,(H2,15,17)
InChIKeyKAWHSOYNGPPPNO-UHFFFAOYSA-N
XLogP1.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 107686173
2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54892069
2-(oxolan-2-ylmethylamino)-2-(4-propoxyphenyl)acetamide
CID 62497281
2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 62133911
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 60994062
4-(4-fluorophenyl)-4-hydroxy-3-(oxolan-2-ylmethylamino)butanoic acid
CID 82347965
2-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889959
1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine
CID 43196282
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 79984283
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 60697164
2-(4-fluoro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 55038391

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide (CID 60710779) is 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide is NC(=O)C(NCC1CCCO1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is KAWHSOYNGPPPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-10-5-3-9(4-6-10)12(13(15)17)16-8-11-2-1-7-18-11/h3-6,11-12,16H,1-2,7-8H2,(H2,15,17).
What are the key properties of 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 252.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 60710779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).