2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide

C17H10F9NO — CID 71672820

IUPAC2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C(Cc1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H10F9NO/c18-10-6-7-11(13(20)12(10)19)27-14(28)15(16(21,22)23,17(24,25)26)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,27,28)
InChIKeyMDLGUDVPPANNQY-UHFFFAOYSA-N
MW415.26 g/mol
LogP5.40
Rot. Bonds4

About 2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide

2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 71672820) has the molecular formula C17H10F9NO and a molecular weight of 415.26 g/mol. Its IUPAC name is 2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID71672820
Molecular FormulaC17H10F9NO
Molecular Weight415.26 g/mol
Exact Mass415.06
IUPAC Name2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C(Cc1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H10F9NO/c18-10-6-7-11(13(20)12(10)19)27-14(28)15(16(21,22)23,17(24,25)26)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,27,28)
InChIKeyMDLGUDVPPANNQY-UHFFFAOYSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.26
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2697464
1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108992623
N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline
CID 116788722
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
2,2,2-trifluoroethyl N-(2,3,4-trifluorophenyl)carbamate
CID 39871456
N-(2,3,4-trifluorophenyl)carbamoyl chloride
CID 135378895
2-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111134675
6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109346615
2-oxo-1-phenylmethoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 110383144
1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108867200
4-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
4-[2-(benzylamino)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)-1,4-diazepane-1-carboxamide
CID 3800290

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide (CID 71672820) is 2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide is O=C(Nc1ccc(F)c(F)c1F)C(Cc1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is MDLGUDVPPANNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F9NO/c18-10-6-7-11(13(20)12(10)19)27-14(28)15(16(21,22)23,17(24,25)26)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,27,28).
What are the key properties of 2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide?
2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 415.26 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 71672820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).