ethane;2-[3-(trifluoromethyl)anilino]benzamide

C16H17F3N2O — CID 142468111

IUPACethane;2-[3-(trifluoromethyl)anilino]benzamide
SMILESCC.NC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O.C2H6/c15-14(16,17)9-4-3-5-10(8-9)19-12-7-2-1-6-11(12)13(18)20;1-2/h1-8,19H,(H2,18,20);1-2H3
InChIKeyJGONXDMHMUMWEJ-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.57
Rot. Bonds3

About ethane;2-[3-(trifluoromethyl)anilino]benzamide

ethane;2-[3-(trifluoromethyl)anilino]benzamide (PubChem CID 142468111) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is ethane;2-[3-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound Nameethane;2-[3-(trifluoromethyl)anilino]benzamide
PubChem CID142468111
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Nameethane;2-[3-(trifluoromethyl)anilino]benzamide
SMILESCC.NC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O.C2H6/c15-14(16,17)9-4-3-5-10(8-9)19-12-7-2-1-6-11(12)13(18)20;1-2/h1-8,19H,(H2,18,20);1-2H3
InChIKeyJGONXDMHMUMWEJ-UHFFFAOYSA-N
XLogP4.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 16619639
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
(2-methoxyphenyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 11596190
N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142467925
2-[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
CID 129318388
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 8789976
3-amino-4-[3-(trifluoromethyl)anilino]benzamide
CID 43448394
2-(3-phenylanilino)benzamide
CID 44596232
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 2347853
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-(trifluoromethyl)anilino]benzamide?
The IUPAC name of ethane;2-[3-(trifluoromethyl)anilino]benzamide (CID 142468111) is ethane;2-[3-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for ethane;2-[3-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for ethane;2-[3-(trifluoromethyl)anilino]benzamide is CC.NC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of ethane;2-[3-(trifluoromethyl)anilino]benzamide?
The InChIKey is JGONXDMHMUMWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O.C2H6/c15-14(16,17)9-4-3-5-10(8-9)19-12-7-2-1-6-11(12)13(18)20;1-2/h1-8,19H,(H2,18,20);1-2H3.
What are the key properties of ethane;2-[3-(trifluoromethyl)anilino]benzamide?
ethane;2-[3-(trifluoromethyl)anilino]benzamide has a molecular weight of 310.32 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 142468111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).