N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide

C25H24F2N2O3 — CID 24597044

IUPACN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)NC(c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C25H24F2N2O3/c26-25(27)32-21-13-11-20(12-14-21)24(19-9-5-2-6-10-19)29-22(30)15-16-28-23(31)17-18-7-3-1-4-8-18/h1-14,24-25H,15-17H2,(H,28,31)(H,29,30)
InChIKeyZSTAHWXTEDSLTK-UHFFFAOYSA-N
MW438.47 g/mol
LogP4.24
Rot. Bonds10

About N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide

N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 24597044) has the molecular formula C25H24F2N2O3 and a molecular weight of 438.47 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide
PubChem CID24597044
Molecular FormulaC25H24F2N2O3
Molecular Weight438.47 g/mol
Exact Mass438.18
IUPAC NameN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)NC(c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C25H24F2N2O3/c26-25(27)32-21-13-11-20(12-14-21)24(19-9-5-2-6-10-19)29-22(30)15-16-28-23(31)17-18-7-3-1-4-8-18/h1-14,24-25H,15-17H2,(H,28,31)(H,29,30)
InChIKeyZSTAHWXTEDSLTK-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 18088700
3-[4-(difluoromethoxy)phenyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanoic acid
CID 176955943
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide
CID 9012238
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] propanoate
CID 9015107
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8914596
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 9230220
methyl 3-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]sulfanylpropanoate
CID 9344503
6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
CID 119220006
N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 24644344
2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide
CID 9342283
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-phenylpropanamide
CID 111424772

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide (CID 24597044) is N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide is O=C(Cc1ccccc1)NCCC(=O)NC(c1ccccc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is ZSTAHWXTEDSLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O3/c26-25(27)32-21-13-11-20(12-14-21)24(19-9-5-2-6-10-19)29-22(30)15-16-28-23(31)17-18-7-3-1-4-8-18/h1-14,24-25H,15-17H2,(H,28,31)(H,29,30).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide?
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 438.47 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 24597044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).