(E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide

C10H6Cl3F3N2O — CID 163413511

IUPAC(E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide
SMILESN/C=C(\C(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H6Cl3F3N2O/c11-4-1-6(12)8(7(13)2-4)18-9(19)5(3-17)10(14,15)16/h1-3H,17H2,(H,18,19)/b5-3+
InChIKeyACMFIXZYIADUQN-HWKANZROSA-N
MW333.52 g/mol
LogP3.99
Rot. Bonds2

About (E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide

(E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide (PubChem CID 163413511) has the molecular formula C10H6Cl3F3N2O and a molecular weight of 333.52 g/mol. Its IUPAC name is (E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide
PubChem CID163413511
Molecular FormulaC10H6Cl3F3N2O
Molecular Weight333.52 g/mol
Exact Mass331.95
IUPAC Name(E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide
SMILESN/C=C(\C(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H6Cl3F3N2O/c11-4-1-6(12)8(7(13)2-4)18-9(19)5(3-17)10(14,15)16/h1-3H,17H2,(H,18,19)/b5-3+
InChIKeyACMFIXZYIADUQN-HWKANZROSA-N
XLogP3.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672617
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide
CID 2748510
methyl 2-oxo-2-(2,4,6-trichloroanilino)acetate
CID 112683063
3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672117
N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide
CID 166487924
3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide
CID 65264588
3-amino-4-fluoro-N-(2,4,6-trichlorophenyl)benzamide
CID 43436994
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2,4,6-trichlorophenyl)propanamide
CID 71672259
(2,4,6-trichlorophenyl)thiourea
CID 2731098
3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
CID 63679954
N-(2,6-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide
CID 3109818
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 60861863

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide?
The IUPAC name of (E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide (CID 163413511) is (E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for (E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide is N/C=C(\C(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(F)(F)F.
What is the InChIKey of (E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide?
The InChIKey is ACMFIXZYIADUQN-HWKANZROSA-N. The full InChI is InChI=1S/C10H6Cl3F3N2O/c11-4-1-6(12)8(7(13)2-4)18-9(19)5(3-17)10(14,15)16/h1-3H,17H2,(H,18,19)/b5-3+.
What are the key properties of (E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide?
(E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide has a molecular weight of 333.52 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 163413511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).