4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide

C21H17FN2O3 — CID 8608028

IUPAC4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide
SMILESNC(=O)c1ccc(O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H17FN2O3/c22-16-8-10-17(11-9-16)24-21(26)19(14-4-2-1-3-5-14)27-18-12-6-15(7-13-18)20(23)25/h1-13,19H,(H2,23,25)(H,24,26)/t19-/m1/s1
InChIKeyZGBADYYPRQUAQY-LJQANCHMSA-N
MW364.38 g/mol
LogP3.68
Rot. Bonds6

About 4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide

4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide (PubChem CID 8608028) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide.

Molecular Properties

Compound Name4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide
PubChem CID8608028
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide
SMILESNC(=O)c1ccc(O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H17FN2O3/c22-16-8-10-17(11-9-16)24-21(26)19(14-4-2-1-3-5-14)27-18-12-6-15(7-13-18)20(23)25/h1-13,19H,(H2,23,25)(H,24,26)/t19-/m1/s1
InChIKeyZGBADYYPRQUAQY-LJQANCHMSA-N
XLogP3.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
4-[(2-methoxy-2-phenylacetyl)amino]benzamide
CID 2896452
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(carbamoylamino)benzoate
CID 42971872
4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide
CID 8607962
(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
CID 42252726
(2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
CID 7233639
4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
CID 1177972
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 7890444
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide?
The IUPAC name of 4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide (CID 8608028) is 4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide.
What is the SMILES notation for 4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide?
The canonical SMILES for 4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide is NC(=O)c1ccc(O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide?
The InChIKey is ZGBADYYPRQUAQY-LJQANCHMSA-N. The full InChI is InChI=1S/C21H17FN2O3/c22-16-8-10-17(11-9-16)24-21(26)19(14-4-2-1-3-5-14)27-18-12-6-15(7-13-18)20(23)25/h1-13,19H,(H2,23,25)(H,24,26)/t19-/m1/s1.
What are the key properties of 4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide?
4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide has a molecular weight of 364.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethoxy]benzamide is sourced from PubChem (CID 8608028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).