N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide

C25H23F3N2O2 — CID 59689158

IUPACN-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(=O)NC(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H23F3N2O2/c26-25(27,28)21-14-12-20(13-15-21)24(19-9-5-2-6-10-19)30-23(32)17-29-22(31)16-11-18-7-3-1-4-8-18/h1-10,12-15,24H,11,16-17H2,(H,29,31)(H,30,32)
InChIKeyONMSIBZEONPMIX-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.66
Rot. Bonds8

About N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide

N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide (PubChem CID 59689158) has the molecular formula C25H23F3N2O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide
PubChem CID59689158
Molecular FormulaC25H23F3N2O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC NameN-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(=O)NC(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H23F3N2O2/c26-25(27,28)21-14-12-20(13-15-21)24(19-9-5-2-6-10-19)30-23(32)17-29-22(31)16-11-18-7-3-1-4-8-18/h1-10,12-15,24H,11,16-17H2,(H,29,31)(H,30,32)
InChIKeyONMSIBZEONPMIX-UHFFFAOYSA-N
XLogP4.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]propanamide
CID 68870970
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
CID 113000076
N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide
CID 985952
3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 60592502
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2451774

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide (CID 59689158) is N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCC(=O)NC(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide?
The InChIKey is ONMSIBZEONPMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O2/c26-25(27,28)21-14-12-20(13-15-21)24(19-9-5-2-6-10-19)30-23(32)17-29-22(31)16-11-18-7-3-1-4-8-18/h1-10,12-15,24H,11,16-17H2,(H,29,31)(H,30,32).
What are the key properties of N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide?
N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide has a molecular weight of 440.47 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 59689158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).