N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide

C16H23FN2O2 — CID 79911734

IUPACN-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CC(C)(C)OC2(C)C)ccc1F
InChIInChI=1S/C16H23FN2O2/c1-10(20)18-13-8-11(6-7-12(13)17)19-14-9-15(2,3)21-16(14,4)5/h6-8,14,19H,9H2,1-5H3,(H,18,20)
InChIKeyQBZHLGVHQDVGNY-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.54
Rot. Bonds3

About N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide

N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide (PubChem CID 79911734) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide
PubChem CID79911734
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CC(C)(C)OC2(C)C)ccc1F
InChIInChI=1S/C16H23FN2O2/c1-10(20)18-13-8-11(6-7-12(13)17)19-14-9-15(2,3)21-16(14,4)5/h6-8,14,19H,9H2,1-5H3,(H,18,20)
InChIKeyQBZHLGVHQDVGNY-UHFFFAOYSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide
CID 112633780
[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea
CID 79927779
N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide
CID 104860140
N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide
CID 65083100
N-(3-fluorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79918656
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82727245
N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
CID 79941370
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368
N-[3-[(5,5-dimethylthian-3-yl)amino]-4-fluorophenyl]acetamide
CID 79956147
methyl 5-chloro-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
CID 79907432
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide (CID 79911734) is N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide is CC(=O)Nc1cc(NC2CC(C)(C)OC2(C)C)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide?
The InChIKey is QBZHLGVHQDVGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-10(20)18-13-8-11(6-7-12(13)17)19-14-9-15(2,3)21-16(14,4)5/h6-8,14,19H,9H2,1-5H3,(H,18,20).
What are the key properties of N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide?
N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide has a molecular weight of 294.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 79911734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).