2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide

C16H14F2N2O3 — CID 42561609

IUPAC2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide
SMILESC[C@H](Oc1ccc(F)cc1F)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H14F2N2O3/c1-9(23-14-7-6-10(17)8-12(14)18)16(22)20-13-5-3-2-4-11(13)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m0/s1
InChIKeyCYLNLTSPUPDGJC-VIFPVBQESA-N
MW320.30 g/mol
LogP2.47
Rot. Bonds5

About 2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide

2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide (PubChem CID 42561609) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide
PubChem CID42561609
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide
SMILESC[C@H](Oc1ccc(F)cc1F)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H14F2N2O3/c1-9(23-14-7-6-10(17)8-12(14)18)16(22)20-13-5-3-2-4-11(13)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m0/s1
InChIKeyCYLNLTSPUPDGJC-VIFPVBQESA-N
XLogP2.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-dichlorophenoxy)propanoylamino]benzamide
CID 3579546
2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
CID 1335501
2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide
CID 40771324
(2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 8730300
N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 53286451
N-(2-amino-4-fluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 16789198
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
N-(2-aminophenyl)-2-(2,5-difluorophenoxy)propanamide
CID 63269106
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205343
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
CID 18166101

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide?
The IUPAC name of 2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide (CID 42561609) is 2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide is C[C@H](Oc1ccc(F)cc1F)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide?
The InChIKey is CYLNLTSPUPDGJC-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14F2N2O3/c1-9(23-14-7-6-10(17)8-12(14)18)16(22)20-13-5-3-2-4-11(13)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide?
2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide has a molecular weight of 320.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 42561609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).