4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide

C17H14Cl3F3N2O — CID 2843465

IUPAC4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCc1ccc(C(=O)NC(Nc2ccccc2C(F)(F)F)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C17H14Cl3F3N2O/c1-10-6-8-11(9-7-10)14(26)25-15(16(18,19)20)24-13-5-3-2-4-12(13)17(21,22)23/h2-9,15,24H,1H3,(H,25,26)
InChIKeyIDSGSEPEHNMAIF-UHFFFAOYSA-N
MW425.67 g/mol
LogP5.55
Rot. Bonds4

About 4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide

4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 2843465) has the molecular formula C17H14Cl3F3N2O and a molecular weight of 425.67 g/mol. Its IUPAC name is 4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID2843465
Molecular FormulaC17H14Cl3F3N2O
Molecular Weight425.67 g/mol
Exact Mass424.01
IUPAC Name4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCc1ccc(C(=O)NC(Nc2ccccc2C(F)(F)F)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C17H14Cl3F3N2O/c1-10-6-8-11(9-7-10)14(26)25-15(16(18,19)20)24-13-5-3-2-4-12(13)17(21,22)23/h2-9,15,24H,1H3,(H,25,26)
InChIKeyIDSGSEPEHNMAIF-UHFFFAOYSA-N
XLogP5.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.67
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 7060501
4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379540
4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide
CID 30467509
N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379486
N-[(1S)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379485
4-bromo-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]benzamide
CID 3090269
N-[(1R)-1-(tert-butylamino)-2,2,2-trichloroethyl]-4-methylbenzamide
CID 92846944
4-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 880639
4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3304613
2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 2843811
N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 134351074
2-methyl-N-[2,2,2-trichloro-1-[2-chloro-5-(trifluoromethyl)anilino]ethyl]benzamide
CID 3092480

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide (CID 2843465) is 4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide is Cc1ccc(C(=O)NC(Nc2ccccc2C(F)(F)F)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is IDSGSEPEHNMAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3F3N2O/c1-10-6-8-11(9-7-10)14(26)25-15(16(18,19)20)24-13-5-3-2-4-12(13)17(21,22)23/h2-9,15,24H,1H3,(H,25,26).
What are the key properties of 4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide?
4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide has a molecular weight of 425.67 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 2843465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).