N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide

C24H23FN2O2 — CID 9210450

IUPACN-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C24H23FN2O2/c25-21-13-11-18(12-14-21)15-16-26-23(28)17-22(19-7-3-1-4-8-19)27-24(29)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,26,28)(H,27,29)/t22-/m0/s1
InChIKeyAGUUNDAWERRQSX-QFIPXVFZSA-N
MW390.46 g/mol
LogP4.05
Rot. Bonds8

About N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide

N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 9210450) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID9210450
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC NameN-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C24H23FN2O2/c25-21-13-11-18(12-14-21)15-16-26-23(28)17-22(19-7-3-1-4-8-19)27-24(29)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,26,28)(H,27,29)/t22-/m0/s1
InChIKeyAGUUNDAWERRQSX-QFIPXVFZSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(3-benzamido-3-phenylpropanoyl)amino]ethyl]benzoic acid
CID 166201872
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119431387
N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 94336143
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 46647738

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide (CID 9210450) is N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide is O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is AGUUNDAWERRQSX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23FN2O2/c25-21-13-11-18(12-14-21)15-16-26-23(28)17-22(19-7-3-1-4-8-19)27-24(29)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,26,28)(H,27,29)/t22-/m0/s1.
What are the key properties of N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide?
N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 9210450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).