N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide

C20H20F3N3O3 — CID 55546139

IUPACN-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)Cc1ccccc1)NCCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)16-8-6-15(7-9-16)19(29)25-11-10-24-18(28)13-26-17(27)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeyVNJFKKGSQYPOOW-UHFFFAOYSA-N
MW407.39 g/mol
LogP1.91
Rot. Bonds8

About N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 55546139) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID55546139
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC NameN-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)Cc1ccccc1)NCCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)16-8-6-15(7-9-16)19(29)25-11-10-24-18(28)13-26-17(27)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeyVNJFKKGSQYPOOW-UHFFFAOYSA-N
XLogP1.91
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 8749593
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119503351
N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508604
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112993932
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546186
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 155676275
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
N-[2-[(N-benzyl-N'-methylcarbamimidoyl)amino]ethyl]-4-(trifluoromethyl)benzamide;hydroiodide
CID 110952959
4-(dimethylamino)-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108540008

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide (CID 55546139) is N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide is O=C(CNC(=O)Cc1ccccc1)NCCNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is VNJFKKGSQYPOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c21-20(22,23)16-8-6-15(7-9-16)19(29)25-11-10-24-18(28)13-26-17(27)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 407.39 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 55546139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).