2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide

C25H26F2N2O2 — CID 174553710

IUPAC2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide
SMILESO=C(NCCc1ccccc1)C(COC(F)F)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H26F2N2O2/c26-25(27)31-19-23(24(30)28-17-16-20-10-4-1-5-11-20)29(22-14-8-3-9-15-22)18-21-12-6-2-7-13-21/h1-15,23,25H,16-19H2,(H,28,30)
InChIKeyAKQXTUIMJJCEMB-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.66
Rot. Bonds11

About 2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide

2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide (PubChem CID 174553710) has the molecular formula C25H26F2N2O2 and a molecular weight of 424.49 g/mol. Its IUPAC name is 2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide
PubChem CID174553710
Molecular FormulaC25H26F2N2O2
Molecular Weight424.49 g/mol
Exact Mass424.20
IUPAC Name2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide
SMILESO=C(NCCc1ccccc1)C(COC(F)F)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H26F2N2O2/c26-25(27)31-19-23(24(30)28-17-16-20-10-4-1-5-11-20)29(22-14-8-3-9-15-22)18-21-12-6-2-7-13-21/h1-15,23,25H,16-19H2,(H,28,30)
InChIKeyAKQXTUIMJJCEMB-UHFFFAOYSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide
CID 174568268
[(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid
CID 23648565
(2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide
CID 142682853
2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133215067
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038
[2,4,5-triacetyloxy-1,6-dioxo-1,6-bis(2-phenylethylamino)hexan-3-yl] acetate
CID 4863601
1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea
CID 27533879
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
CID 108902247

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide (CID 174553710) is 2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide is O=C(NCCc1ccccc1)C(COC(F)F)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide?
The InChIKey is AKQXTUIMJJCEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O2/c26-25(27)31-19-23(24(30)28-17-16-20-10-4-1-5-11-20)29(22-14-8-3-9-15-22)18-21-12-6-2-7-13-21/h1-15,23,25H,16-19H2,(H,28,30).
What are the key properties of 2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide?
2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide has a molecular weight of 424.49 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)-3-(difluoromethoxy)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 174553710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).