N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide

C11H12F3N3O — CID 170268995

IUPACN-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCN/C(=C\N)c1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C11H12F3N3O/c1-16-9(6-15)7-3-2-4-8(5-7)17-10(18)11(12,13)14/h2-6,16H,15H2,1H3,(H,17,18)/b9-6-
InChIKeyVWKMDDFELTYVDO-TWGQIWQCSA-N
MW259.23 g/mol
LogP1.66
Rot. Bonds3

About N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide

N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 170268995) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID170268995
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC NameN-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCN/C(=C\N)c1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C11H12F3N3O/c1-16-9(6-15)7-3-2-4-8(5-7)17-10(18)11(12,13)14/h2-6,16H,15H2,1H3,(H,17,18)/b9-6-
InChIKeyVWKMDDFELTYVDO-TWGQIWQCSA-N
XLogP1.66
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
propyl 3-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19171675
N,N'-bis[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]pentanediamide
CID 3899858
3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzoic acid
CID 79805170
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-hydroxy-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933166
(E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933370
4-(dimethylamino)-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4057400
2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 17126801
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 3699366

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide (CID 170268995) is N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide is CN/C(=C\N)c1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is VWKMDDFELTYVDO-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-16-9(6-15)7-3-2-4-8(5-7)17-10(18)11(12,13)14/h2-6,16H,15H2,1H3,(H,17,18)/b9-6-.
What are the key properties of N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide?
N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 259.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 170268995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).