2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide

C16H13F3N2O — CID 1136936

IUPAC2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)C(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H13F3N2O/c1-11(20-21-15(22)16(17,18)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3,(H,21,22)
InChIKeyGSJDXBZDRVKHPO-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.76
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide

2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide (PubChem CID 1136936) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
PubChem CID1136936
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)C(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H13F3N2O/c1-11(20-21-15(22)16(17,18)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3,(H,21,22)
InChIKeyGSJDXBZDRVKHPO-UHFFFAOYSA-N
XLogP3.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 5412073
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6382208
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
N-[1-(4-phenylphenyl)ethylideneamino]hexanamide
CID 3111304
N-[1-(4-aminophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 4215253
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide (CID 1136936) is 2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide is CC(=NNC(=O)C(F)(F)F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide?
The InChIKey is GSJDXBZDRVKHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-11(20-21-15(22)16(17,18)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3,(H,21,22).
What are the key properties of 2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide?
2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide has a molecular weight of 306.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 1136936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).