benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

C25H25FN2O3 — CID 46539126

IUPACbenzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)C(=O)NCCc1cccc(F)c1)OCc1ccccc1
InChIInChI=1S/C25H25FN2O3/c26-22-13-7-12-20(16-22)14-15-27-24(29)23(17-19-8-3-1-4-9-19)28-25(30)31-18-21-10-5-2-6-11-21/h1-13,16,23H,14-15,17-18H2,(H,27,29)(H,28,30)
InChIKeyHWPVOXZPBMCYMG-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.02
Rot. Bonds9

About benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 46539126) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID46539126
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Namebenzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)C(=O)NCCc1cccc(F)c1)OCc1ccccc1
InChIInChI=1S/C25H25FN2O3/c26-22-13-7-12-20(16-22)14-15-27-24(29)23(17-19-8-3-1-4-9-19)28-25(30)31-18-21-10-5-2-6-11-21/h1-13,16,23H,14-15,17-18H2,(H,27,29)(H,28,30)
InChIKeyHWPVOXZPBMCYMG-UHFFFAOYSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11733270
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benzyl N-[(2S)-1-oxo-3-phenyl-1-[10-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]decylamino]propan-2-yl]carbamate
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CID 10843729
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CID 4805903
benzyl N-[3-(4-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 141026809
benzyl N-[(2R)-1-oxo-1-(2-phenylethylamino)-3-sulfanylpropan-2-yl]carbamate
CID 54181079
benzyl N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]carbamate
CID 2973242
benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 46539126) is benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate is O=C(NC(Cc1ccccc1)C(=O)NCCc1cccc(F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is HWPVOXZPBMCYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c26-22-13-7-12-20(16-22)14-15-27-24(29)23(17-19-8-3-1-4-9-19)28-25(30)31-18-21-10-5-2-6-11-21/h1-13,16,23H,14-15,17-18H2,(H,27,29)(H,28,30).
What are the key properties of benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 420.48 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 46539126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).