N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide

C15H11F3N2O — CID 129248931

IUPACN-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide
SMILESO=C(NN=C(c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)13(11-7-3-1-4-8-11)19-20-14(21)12-9-5-2-6-10-12/h1-10H,(H,20,21)
InChIKeyVPABSWIKMHMXKS-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.38
Rot. Bonds3

About N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide

N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide (PubChem CID 129248931) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide.

Molecular Properties

Compound NameN-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide
PubChem CID129248931
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC NameN-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide
SMILESO=C(NN=C(c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)13(11-7-3-1-4-8-11)19-20-14(21)12-9-5-2-6-10-12/h1-10H,(H,20,21)
InChIKeyVPABSWIKMHMXKS-UHFFFAOYSA-N
XLogP3.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.38
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'}

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Related Compounds

4-chloro-N-[[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino]benzamide
CID 71950811
N-[(E)-(1-bromo-1,1-difluoropropan-2-ylidene)amino]benzamide
CID 167523986
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
CID 86021252
N-[(1,1,1-trifluoro-5,5-dimethyl-4-oxohexan-2-ylidene)amino]benzamide
CID 4647274
N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-(diaminomethylideneamino)benzamide;hydrochloride
CID 156587607
N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 5412073
N-(trifluoromethylcarbamoyl)benzamide
CID 154349389
N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide
CID 6900311
1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea
CID 17337971
3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide
CID 3442645
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818

Frequently Asked Questions

What is the IUPAC name of N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide?
The IUPAC name of N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide (CID 129248931) is N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide.
What is the SMILES notation for N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide?
The canonical SMILES for N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide is O=C(NN=C(c1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide?
The InChIKey is VPABSWIKMHMXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-15(17,18)13(11-7-3-1-4-8-11)19-20-14(21)12-9-5-2-6-10-12/h1-10H,(H,20,21).
What are the key properties of N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide?
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide has a molecular weight of 292.26 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide is sourced from PubChem (CID 129248931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).