2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide

C16H12F3NO — CID 141369710

IUPAC2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
SMILESO=C(Nc1ccc(/C=C/c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C16H12F3NO/c17-16(18,19)15(21)20-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,(H,20,21)/b7-6+
InChIKeyNRAKZGJKASJEDH-VOTSOKGWSA-N
MW291.27 g/mol
LogP4.36
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide (PubChem CID 141369710) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
PubChem CID141369710
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
SMILESO=C(Nc1ccc(/C=C/c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C16H12F3NO/c17-16(18,19)15(21)20-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,(H,20,21)/b7-6+
InChIKeyNRAKZGJKASJEDH-VOTSOKGWSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide
CID 163752454
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
2-fluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 168830160
N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
CID 131852564
3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide
CID 57300906
4-[(2,2,2-trifluoroacetyl)amino]phenolate
CID 171407160
2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid
CID 680540
3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 708108
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
(E)-3-(4-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933380
N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 130770723

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide (CID 141369710) is 2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide is O=C(Nc1ccc(/C=C/c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide?
The InChIKey is NRAKZGJKASJEDH-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)15(21)20-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,(H,20,21)/b7-6+.
What are the key properties of 2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide has a molecular weight of 291.27 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide is sourced from PubChem (CID 141369710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).