2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide

C24H23FN2O2 — CID 92540792

IUPAC2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H23FN2O2/c1-17(19-7-3-2-4-8-19)26-24(29)21-9-5-6-10-22(21)27-23(28)16-13-18-11-14-20(25)15-12-18/h2-12,14-15,17H,13,16H2,1H3,(H,26,29)(H,27,28)/t17-/m1/s1
InChIKeyXBAKTJNLEVHYFW-QGZVFWFLSA-N
MW390.46 g/mol
LogP4.89
Rot. Bonds7

About 2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide

2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 92540792) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID92540792
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H23FN2O2/c1-17(19-7-3-2-4-8-19)26-24(29)21-9-5-6-10-22(21)27-23(28)16-13-18-11-14-20(25)15-12-18/h2-12,14-15,17H,13,16H2,1H3,(H,26,29)(H,27,28)/t17-/m1/s1
InChIKeyXBAKTJNLEVHYFW-QGZVFWFLSA-N
XLogP4.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 100595887
2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 100600751
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7894311
2-phenylethyl 4-oxo-4-[2-(1-phenylethylcarbamoyl)anilino]butanoate
CID 4946844
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54795752
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982115

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide (CID 92540792) is 2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is XBAKTJNLEVHYFW-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-17(19-7-3-2-4-8-19)26-24(29)21-9-5-6-10-22(21)27-23(28)16-13-18-11-14-20(25)15-12-18/h2-12,14-15,17H,13,16H2,1H3,(H,26,29)(H,27,28)/t17-/m1/s1.
What are the key properties of 2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide?
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 92540792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).