2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide

C24H23FN2O3 — CID 26242811

IUPAC2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C24H23FN2O3/c1-16(18-8-4-3-5-9-18)26-24(29)21-10-6-7-11-22(21)27-23(28)17(2)30-20-14-12-19(25)13-15-20/h3-17H,1-2H3,(H,26,29)(H,27,28)/t16-,17-/m0/s1
InChIKeyCATGHKFPKOIOHO-IRXDYDNUSA-N
MW406.46 g/mol
LogP4.72
Rot. Bonds7

About 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide

2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 26242811) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID26242811
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C24H23FN2O3/c1-16(18-8-4-3-5-9-18)26-24(29)21-10-6-7-11-22(21)27-23(28)17(2)30-20-14-12-19(25)13-15-20/h3-17H,1-2H3,(H,26,29)(H,27,28)/t16-,17-/m0/s1
InChIKeyCATGHKFPKOIOHO-IRXDYDNUSA-N
XLogP4.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-phenoxypropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 29448293
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 42426832
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
2-[2-(2-methoxyphenoxy)propanoylamino]-N-(1-phenylethyl)benzamide
CID 4943270
N-(4-fluorophenyl)-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7312062
2-[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38008079
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7894311
N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
CID 26905849
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 21368419
N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide
CID 4939976

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide (CID 26242811) is 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is CATGHKFPKOIOHO-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-16(18-8-4-3-5-9-18)26-24(29)21-10-6-7-11-22(21)27-23(28)17(2)30-20-14-12-19(25)13-15-20/h3-17H,1-2H3,(H,26,29)(H,27,28)/t16-,17-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 406.46 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 26242811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).