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

C13H17FN2O2 — CID 82727245

IUPACN-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CCOC2C)ccc1F
InChIInChI=1S/C13H17FN2O2/c1-8-12(5-6-18-8)16-10-3-4-11(14)13(7-10)15-9(2)17/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyUUPSPWIDCDBBQA-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.37
Rot. Bonds3

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

N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide (PubChem CID 82727245) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
PubChem CID82727245
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CCOC2C)ccc1F
InChIInChI=1S/C13H17FN2O2/c1-8-12(5-6-18-8)16-10-3-4-11(14)13(7-10)15-9(2)17/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyUUPSPWIDCDBBQA-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
CID 82727389
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82716841
N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide
CID 104860140
N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525387
(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
CID 97358491
4-[(2-methyloxolan-3-yl)amino]-2-(trifluoromethyl)benzoic acid
CID 82737217
N-[4-fluoro-3-[(2-methylcyclopentyl)amino]phenyl]acetamide
CID 65044597
[3-[(2-methyloxolan-3-yl)amino]phenyl]urea
CID 82727169
N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide
CID 79911734
N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
CID 79941370
(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine
CID 97358489

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide (CID 82727245) is N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide is CC(=O)Nc1cc(NC2CCOC2C)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide?
The InChIKey is UUPSPWIDCDBBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8-12(5-6-18-8)16-10-3-4-11(14)13(7-10)15-9(2)17/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide?
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide has a molecular weight of 252.29 g/mol, XLogP of 2.37, 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-methyloxolan-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 82727245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).