N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H19FN2O3 — CID 115950267

IUPACN-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(=O)Nc1cc(NC(=O)COC(C)(C)C)ccc1F
InChIInChI=1S/C14H19FN2O3/c1-9(18)16-12-7-10(5-6-11(12)15)17-13(19)8-20-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyRBNKGIWPPBWDJE-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.54
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 115950267) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID115950267
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(=O)Nc1cc(NC(=O)COC(C)(C)C)ccc1F
InChIInChI=1S/C14H19FN2O3/c1-9(18)16-12-7-10(5-6-11(12)15)17-13(19)8-20-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyRBNKGIWPPBWDJE-UHFFFAOYSA-N
XLogP2.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949796
N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995368
2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid
CID 112602052
N-(5-acetamido-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950028
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
CID 63309475
N-(4-hydroxy-3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602921
N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62845784
tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate
CID 55968285
methyl N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]carbamate
CID 115949974
N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 31766622

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 115950267) is N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(=O)Nc1cc(NC(=O)COC(C)(C)C)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is RBNKGIWPPBWDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-9(18)16-12-7-10(5-6-11(12)15)17-13(19)8-20-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 282.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 115950267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).