2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid

C25H25F3N2O3 — CID 68962339

IUPAC2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1CNC(C)C(=O)N(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H24N2O.C2HF3O2/c1-18-11-9-10-12-20(18)17-24-19(2)23(26)25(21-13-5-3-6-14-21)22-15-7-4-8-16-22;3-2(4,5)1(6)7/h3-16,19,24H,17H2,1-2H3;(H,6,7)
InChIKeyNOWGGGCABPPQGI-UHFFFAOYSA-N
MW458.48 g/mol
LogP5.47
Rot. Bonds6

About 2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid

2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 68962339) has the molecular formula C25H25F3N2O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID68962339
Molecular FormulaC25H25F3N2O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC Name2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1CNC(C)C(=O)N(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H24N2O.C2HF3O2/c1-18-11-9-10-12-20(18)17-24-19(2)23(26)25(21-13-5-3-6-14-21)22-15-7-4-8-16-22;3-2(4,5)1(6)7/h3-16,19,24H,17H2,1-2H3;(H,6,7)
InChIKeyNOWGGGCABPPQGI-UHFFFAOYSA-N
XLogP5.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenyl-2-[(2-phenylphenyl)methylamino]propanamide
CID 68964602
ethane;(3S)-3-[(2-methylphenyl)methylamino]butan-2-one
CID 90780067
3,3,3-trifluoro-2-methyl-2-[[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 79796402
(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 51690870
N-cyclopentyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647813
N-cyclohexyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647843
2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid
CID 18980609
2-(2-methylphenyl)acetic acid
CID 67440217
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072880
(2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide
CID 103735378
methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 43778098

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid (CID 68962339) is 2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid is Cc1ccccc1CNC(C)C(=O)N(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is NOWGGGCABPPQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O.C2HF3O2/c1-18-11-9-10-12-20(18)17-24-19(2)23(26)25(21-13-5-3-6-14-21)22-15-7-4-8-16-22;3-2(4,5)1(6)7/h3-16,19,24H,17H2,1-2H3;(H,6,7).
What are the key properties of 2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid?
2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 458.48 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylamino]-N,N-diphenylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68962339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).