N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide

C10H9F3N2O — CID 5341237

IUPACN-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O/c1-7(16)15-14-6-8-3-2-4-9(5-8)10(11,12)13/h2-6H,1H3,(H,15,16)/b14-6+
InChIKeyZDDAQOZVBAUEDW-MKMNVTDBSA-N
MW230.19 g/mol
LogP2.18
Rot. Bonds2

About N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide

N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 5341237) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID5341237
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC NameN-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O/c1-7(16)15-14-6-8-3-2-4-9(5-8)10(11,12)13/h2-6H,1H3,(H,15,16)/b14-6+
InChIKeyZDDAQOZVBAUEDW-MKMNVTDBSA-N
XLogP2.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-[3-[fluoro(diiodo)methyl]phenyl]methylideneamino]-3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]urea
CID 148980870
2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4924395
4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 5134541
2-(2,6-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924390
2-(3-methylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924430
2-(3-methylphenoxy)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6231780
2-piperidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 23723072
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
2-(4-ethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924443
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
4-(3-methylbutanoylamino)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4924445
methyl 2-[[3-(trifluoromethyl)phenyl]methylideneamino]acetate
CID 101464483

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 5341237) is N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is CC(=O)N/N=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is ZDDAQOZVBAUEDW-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-7(16)15-14-6-8-3-2-4-9(5-8)10(11,12)13/h2-6H,1H3,(H,15,16)/b14-6+.
What are the key properties of N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide?
N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide has a molecular weight of 230.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 5341237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).