N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide

C24H20F6N2O — CID 57046615

IUPACN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide
SMILESCN(c1ccccc1)c1ccccc1C(=O)NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H20F6N2O/c1-32(19-7-3-2-4-8-19)21-10-6-5-9-20(21)22(33)31-12-11-16-13-17(23(25,26)27)15-18(14-16)24(28,29)30/h2-10,13-15H,11-12H2,1H3,(H,31,33)
InChIKeyZUGAUXJEGPGRQQ-UHFFFAOYSA-N
MW466.43 g/mol
LogP6.46
Rot. Bonds6

About N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide

N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide (PubChem CID 57046615) has the molecular formula C24H20F6N2O and a molecular weight of 466.43 g/mol. Its IUPAC name is N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide.

Molecular Properties

Compound NameN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide
PubChem CID57046615
Molecular FormulaC24H20F6N2O
Molecular Weight466.43 g/mol
Exact Mass466.15
IUPAC NameN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide
SMILESCN(c1ccccc1)c1ccccc1C(=O)NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H20F6N2O/c1-32(19-7-3-2-4-8-19)21-10-6-5-9-20(21)22(33)31-12-11-16-13-17(23(25,26)27)15-18(14-16)24(28,29)30/h2-10,13-15H,11-12H2,1H3,(H,31,33)
InChIKeyZUGAUXJEGPGRQQ-UHFFFAOYSA-N
XLogP6.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.43
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide
CID 57233630
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide
CID 91184668
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-(N-methylanilino)benzamide
CID 55880097
N-[2-(methylamino)propyl]-2-(N-methylanilino)benzamide
CID 120832793
N-methoxy-2-(N-methylanilino)benzamide
CID 47216174
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55933427
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 1316081
2-(1,2,4-triazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119060222
3,5-bis(trifluoromethyl)-N-[2-(4-trimethylsilyloxyphenyl)ethyl]benzamide
CID 526021
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 91367279

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide?
The IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide (CID 57046615) is N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide.
What is the SMILES notation for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide?
The canonical SMILES for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide is CN(c1ccccc1)c1ccccc1C(=O)NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide?
The InChIKey is ZUGAUXJEGPGRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N2O/c1-32(19-7-3-2-4-8-19)21-10-6-5-9-20(21)22(33)31-12-11-16-13-17(23(25,26)27)15-18(14-16)24(28,29)30/h2-10,13-15H,11-12H2,1H3,(H,31,33).
What are the key properties of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide?
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide has a molecular weight of 466.43 g/mol, XLogP of 6.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide is sourced from PubChem (CID 57046615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).