2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide

C13H17FN2O3 — CID 107686173

IUPAC2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCC1CCCO1)c1ccc(O)c(F)c1
InChIInChI=1S/C13H17FN2O3/c14-10-6-8(3-4-11(10)17)12(13(15)18)16-7-9-2-1-5-19-9/h3-4,6,9,12,16-17H,1-2,5,7H2,(H2,15,18)
InChIKeyFHMKJYCTJQKLLK-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.83
Rot. Bonds5

About 2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide

2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 107686173) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID107686173
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCC1CCCO1)c1ccc(O)c(F)c1
InChIInChI=1S/C13H17FN2O3/c14-10-6-8(3-4-11(10)17)12(13(15)18)16-7-9-2-1-5-19-9/h3-4,6,9,12,16-17H,1-2,5,7H2,(H2,15,18)
InChIKeyFHMKJYCTJQKLLK-UHFFFAOYSA-N
XLogP0.83
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54892069
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60710779
2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 62133911
methyl 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 60993064
methyl 2-(3-chloro-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 81145280
2-(oxolan-2-ylmethylamino)-2-(4-propoxyphenyl)acetamide
CID 62497281
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 71990927
methyl 2-(cyclopropylmethylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690278
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890052
methyl 2-[3-(difluoromethyl)phenyl]-2-(oxolan-2-ylmethylamino)acetate
CID 115527064
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 107686188

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide (CID 107686173) is 2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide is NC(=O)C(NCC1CCCO1)c1ccc(O)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is FHMKJYCTJQKLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-10-6-8(3-4-11(10)17)12(13(15)18)16-7-9-2-1-5-19-9/h3-4,6,9,12,16-17H,1-2,5,7H2,(H2,15,18).
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide?
2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 268.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 107686173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).