N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide

C10H8Cl3F3N2O — CID 134118431

IUPACN-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide
SMILESNC(NC(=O)c1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H8Cl3F3N2O/c11-9(12,13)8(17)18-7(19)5-2-1-3-6(4-5)10(14,15)16/h1-4,8H,17H2,(H,18,19)
InChIKeyZHJFIBMFPPEOGI-UHFFFAOYSA-N
MW335.54 g/mol
LogP3.09
Rot. Bonds2

About N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide

N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide (PubChem CID 134118431) has the molecular formula C10H8Cl3F3N2O and a molecular weight of 335.54 g/mol. Its IUPAC name is N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide
PubChem CID134118431
Molecular FormulaC10H8Cl3F3N2O
Molecular Weight335.54 g/mol
Exact Mass333.97
IUPAC NameN-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide
SMILESNC(NC(=O)c1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H8Cl3F3N2O/c11-9(12,13)8(17)18-7(19)5-2-1-3-6(4-5)10(14,15)16/h1-4,8H,17H2,(H,18,19)
InChIKeyZHJFIBMFPPEOGI-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 53.09
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

N-(1-amino-2-methylprop-2-enyl)-3-(trifluoromethyl)benzamide
CID 177013336
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-(diformamidomethyl)-3-(trifluoromethyl)benzamide
CID 11087484
N-(1-amino-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 65191332
methyl 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate
CID 43405923
N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 113484980
(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 103926700
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
(2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 9437907
2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 43387176
N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide (CID 134118431) is N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide is NC(NC(=O)c1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl.
What is the InChIKey of N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is ZHJFIBMFPPEOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3F3N2O/c11-9(12,13)8(17)18-7(19)5-2-1-3-6(4-5)10(14,15)16/h1-4,8H,17H2,(H,18,19).
What are the key properties of N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide?
N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 335.54 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 134118431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).