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

C17H14Cl3F3N2O — CID 7060501

IUPAC3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCc1cccc(C(=O)N[C@@H](Nc2ccccc2C(F)(F)F)C(Cl)(Cl)Cl)c1
InChIInChI=1S/C17H14Cl3F3N2O/c1-10-5-4-6-11(9-10)14(26)25-15(16(18,19)20)24-13-8-3-2-7-12(13)17(21,22)23/h2-9,15,24H,1H3,(H,25,26)/t15-/m1/s1
InChIKeyFYDZXSKSVCPIHD-OAHLLOKOSA-N
MW425.67 g/mol
LogP5.55
Rot. Bonds4

About 3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide

3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 7060501) has the molecular formula C17H14Cl3F3N2O and a molecular weight of 425.67 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID7060501
Molecular FormulaC17H14Cl3F3N2O
Molecular Weight425.67 g/mol
Exact Mass424.01
IUPAC Name3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCc1cccc(C(=O)N[C@@H](Nc2ccccc2C(F)(F)F)C(Cl)(Cl)Cl)c1
InChIInChI=1S/C17H14Cl3F3N2O/c1-10-5-4-6-11(9-10)14(26)25-15(16(18,19)20)24-13-8-3-2-7-12(13)17(21,22)23/h2-9,15,24H,1H3,(H,25,26)/t15-/m1/s1
InChIKeyFYDZXSKSVCPIHD-OAHLLOKOSA-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

4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 2843465
N-[(1R)-1-(4-bromoanilino)-2,2,2-trichloroethyl]-3-methylbenzamide
CID 27340129
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
3-methyl-N-[(1R)-2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]benzamide
CID 1106788
4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379540
N-[(1R)-1-(butylamino)-2,2,2-trichloroethyl]-3-methylbenzamide
CID 31725847
3-methyl-N-[2,2,2-trichloro-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]benzamide
CID 18879589
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
3-methyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]benzamide
CID 4231231
(2R,3R)-2,3-bis[(3-methylbenzoyl)oxy]-4-oxo-4-[2-(trifluoromethyl)anilino]butanoic acid
CID 126388147
N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 134351074

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of 3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide (CID 7060501) is 3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide is Cc1cccc(C(=O)N[C@@H](Nc2ccccc2C(F)(F)F)C(Cl)(Cl)Cl)c1.
What is the InChIKey of 3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is FYDZXSKSVCPIHD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14Cl3F3N2O/c1-10-5-4-6-11(9-10)14(26)25-15(16(18,19)20)24-13-8-3-2-7-12(13)17(21,22)23/h2-9,15,24H,1H3,(H,25,26)/t15-/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide?
3-methyl-N-[(1R)-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 3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 7060501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).