2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide

C15H19FN2O3 — CID 113177577

IUPAC2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCC1CCCO1)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O3/c1-11(19)18(13-5-2-4-12(16)8-13)10-15(20)17-9-14-6-3-7-21-14/h2,4-5,8,14H,3,6-7,9-10H2,1H3,(H,17,20)
InChIKeyYIHJOWZPSFGSNW-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.47
Rot. Bonds5

About 2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113177577) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113177577
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCC1CCCO1)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O3/c1-11(19)18(13-5-2-4-12(16)8-13)10-15(20)17-9-14-6-3-7-21-14/h2,4-5,8,14H,3,6-7,9-10H2,1H3,(H,17,20)
InChIKeyYIHJOWZPSFGSNW-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169221
2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113175560
2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488
2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167272
2-(N-acetyl-2-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169027
2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113173863
2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167863
3-fluoro-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phenyl]benzamide
CID 46057014
2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 78826010
3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93329337
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174034

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 113177577) is 2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide is CC(=O)N(CC(=O)NCC1CCCO1)c1cccc(F)c1.
What is the InChIKey of 2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YIHJOWZPSFGSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-11(19)18(13-5-2-4-12(16)8-13)10-15(20)17-9-14-6-3-7-21-14/h2,4-5,8,14H,3,6-7,9-10H2,1H3,(H,17,20).
What are the key properties of 2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 294.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113177577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).