3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide

C25H23F3N2O2 — CID 42699567

IUPAC3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN(Cc1ccccc1)C(=O)Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H23F3N2O2/c26-25(27,28)21-11-13-22(14-12-21)29-23(31)15-16-30(18-20-9-5-2-6-10-20)24(32)17-19-7-3-1-4-8-19/h1-14H,15-18H2,(H,29,31)
InChIKeyNTJGKNRGQHDJGQ-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.31
Rot. Bonds8

About 3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 42699567) has the molecular formula C25H23F3N2O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is 3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID42699567
Molecular FormulaC25H23F3N2O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Name3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN(Cc1ccccc1)C(=O)Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H23F3N2O2/c26-25(27,28)21-11-13-22(14-12-21)29-23(31)15-16-30(18-20-9-5-2-6-10-20)24(32)17-19-7-3-1-4-8-19/h1-14H,15-18H2,(H,29,31)
InChIKeyNTJGKNRGQHDJGQ-UHFFFAOYSA-N
XLogP5.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42695490
2-oxo-2-[[4-(tridecanoylamino)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 10152904
N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide
CID 70268536
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113121176
3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26716432
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide
CID 108947354

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 42699567) is 3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCN(Cc1ccccc1)C(=O)Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is NTJGKNRGQHDJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O2/c26-25(27,28)21-11-13-22(14-12-21)29-23(31)15-16-30(18-20-9-5-2-6-10-20)24(32)17-19-7-3-1-4-8-19/h1-14H,15-18H2,(H,29,31).
What are the key properties of 3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 440.47 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42699567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).