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

C16H15FN2O3 — CID 7931427

IUPAC4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3/c1-10(16(21)19-13-6-4-12(17)5-7-13)22-14-8-2-11(3-9-14)15(18)20/h2-10H,1H3,(H2,18,20)(H,19,21)/t10-/m0/s1
InChIKeyMEIJHKXHVWBVOO-JTQLQIEISA-N
MW302.31 g/mol
LogP2.33
Rot. Bonds5

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

4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 7931427) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID7931427
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3/c1-10(16(21)19-13-6-4-12(17)5-7-13)22-14-8-2-11(3-9-14)15(18)20/h2-10H,1H3,(H2,18,20)(H,19,21)/t10-/m0/s1
InChIKeyMEIJHKXHVWBVOO-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-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7667506
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
CID 1177972
4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide
CID 7751173
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide (CID 7931427) is 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide is C[C@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is MEIJHKXHVWBVOO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-10(16(21)19-13-6-4-12(17)5-7-13)22-14-8-2-11(3-9-14)15(18)20/h2-10H,1H3,(H2,18,20)(H,19,21)/t10-/m0/s1.
What are the key properties of 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
4-[(2S)-1-(4-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-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 7931427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).