N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide

C23H20F3N3O3 — CID 55693879

IUPACN-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)Cn1cccc(C(F)(F)F)c1=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H20F3N3O3/c1-15(27-20(30)14-29-12-6-11-19(22(29)32)23(24,25)26)17-9-5-10-18(13-17)28-21(31)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,27,30)(H,28,31)
InChIKeyBBPFDHQPOFRUKA-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.00
Rot. Bonds6

About N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide

N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide (PubChem CID 55693879) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide
PubChem CID55693879
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC NameN-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)Cn1cccc(C(F)(F)F)c1=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H20F3N3O3/c1-15(27-20(30)14-29-12-6-11-19(22(29)32)23(24,25)26)17-9-5-10-18(13-17)28-21(31)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,27,30)(H,28,31)
InChIKeyBBPFDHQPOFRUKA-UHFFFAOYSA-N
XLogP4.00
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
N-(3-chlorophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2746340
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
CID 47020753
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide
CID 30749964
N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86877255
N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
CID 46456437
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362
N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide
CID 39041536
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519
N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
CID 87003801
N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55693558
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 46456768

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide (CID 55693879) is N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide is CC(NC(=O)Cn1cccc(C(F)(F)F)c1=O)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide?
The InChIKey is BBPFDHQPOFRUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-15(27-20(30)14-29-12-6-11-19(22(29)32)23(24,25)26)17-9-5-10-18(13-17)28-21(31)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide?
N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide has a molecular weight of 443.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 55693879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).