N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide

C23H17F3N2O2 — CID 56506611

IUPACN-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide
SMILESO=C(/C=C(\c1ccccc1)C(F)(F)F)Nc1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)18(16-9-3-1-4-10-16)15-21(29)27-19-13-7-8-14-20(19)28-22(30)17-11-5-2-6-12-17/h1-15H,(H,27,29)(H,28,30)/b18-15+
InChIKeyNWZOJJNSKDVING-OBGWFSINSA-N
MW410.40 g/mol
LogP5.52
Rot. Bonds5

About N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide

N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide (PubChem CID 56506611) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide
PubChem CID56506611
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC NameN-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide
SMILESO=C(/C=C(\c1ccccc1)C(F)(F)F)Nc1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)18(16-9-3-1-4-10-16)15-21(29)27-19-13-7-8-14-20(19)28-22(30)17-11-5-2-6-12-17/h1-15H,(H,27,29)(H,28,30)/b18-15+
InChIKeyNWZOJJNSKDVING-OBGWFSINSA-N
XLogP5.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[2-(tert-butylsulfamoyl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 56507765
(Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide
CID 134048067
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
N-[2-(methylamino)phenyl]benzamide
CID 101444547
(Z)-4,4,4-trifluoro-N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]-3-phenylbut-2-enamide
CID 137296764
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
(E)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 56508385
N-(2,3-difluorophenyl)benzamide
CID 139202270
N-(2-benzamido-1H-pyrrol-3-yl)benzamide
CID 68860160
zinc bis(2-benzamidobenzoate)
CID 67586546
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925434

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide?
The IUPAC name of N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide (CID 56506611) is N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide is O=C(/C=C(\c1ccccc1)C(F)(F)F)Nc1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide?
The InChIKey is NWZOJJNSKDVING-OBGWFSINSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c24-23(25,26)18(16-9-3-1-4-10-16)15-21(29)27-19-13-7-8-14-20(19)28-22(30)17-11-5-2-6-12-17/h1-15H,(H,27,29)(H,28,30)/b18-15+.
What are the key properties of N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide?
N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide has a molecular weight of 410.40 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide is sourced from PubChem (CID 56506611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).