4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide

C16H15FN2O3 — CID 7931375

IUPAC4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H15FN2O3/c1-10(16(21)19-14-5-3-2-4-13(14)17)22-12-8-6-11(7-9-12)15(18)20/h2-10H,1H3,(H2,18,20)(H,19,21)/t10-/m0/s1
InChIKeySBRQJEHPFBMGBT-JTQLQIEISA-N
MW302.31 g/mol
LogP2.33
Rot. Bonds5

About 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide

4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 7931375) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID7931375
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H15FN2O3/c1-10(16(21)19-14-5-3-2-4-13(14)17)22-12-8-6-11(7-9-12)15(18)20/h2-10H,1H3,(H2,18,20)(H,19,21)/t10-/m0/s1
InChIKeySBRQJEHPFBMGBT-JTQLQIEISA-N
XLogP2.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 8946649
(2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide
CID 68522139
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 156704842
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252
2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
CID 18166101
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983734
4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
CID 1177972
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7695121
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide (CID 7931375) is 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide is C[C@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is SBRQJEHPFBMGBT-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-10(16(21)19-14-5-3-2-4-13(14)17)22-12-8-6-11(7-9-12)15(18)20/h2-10H,1H3,(H2,18,20)(H,19,21)/t10-/m0/s1.
What are the key properties of 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 302.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 7931375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).