N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide

C18H17F3N2O2 — CID 172966190

IUPACN-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1/C=N/OC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c1-12(14-7-5-8-16(10-14)18(19,20)21)25-22-11-15-6-3-4-9-17(15)23-13(2)24/h3-12H,1-2H3,(H,23,24)/b22-11+
InChIKeyLAGWBAUXCUJOLA-SSDVNMTOSA-N
MW350.34 g/mol
LogP4.78
Rot. Bonds5

About N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide

N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide (PubChem CID 172966190) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
PubChem CID172966190
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1/C=N/OC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c1-12(14-7-5-8-16(10-14)18(19,20)21)25-22-11-15-6-3-4-9-17(15)23-13(2)24/h3-12H,1-2H3,(H,23,24)/b22-11+
InChIKeyLAGWBAUXCUJOLA-SSDVNMTOSA-N
XLogP4.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(1E)-1-methoxyimino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]propan-2-one
CID 59868630
(2E)-2-methoxyimino-N-methyl-2-[2-[(Z)-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]iminomethyl]phenyl]acetamide
CID 101019202
(2E)-2-methoxyimino-N-methyl-2-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
CID 21338870
1-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenyl]-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine
CID 139893279
ethyl 1,3-dimethyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]pyrazole-5-carboxylate
CID 54145058
(2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7670510
2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol
CID 135758103
(2E)-2-methoxyimino-N-methyl-2-[2-[(E)-1-[3-(trifluoromethylsulfonyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
CID 87946066
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
2-hydroxyimino-N-methyl-2-[2-[(E)-1-(3-methylphenyl)ethoxyiminomethyl]phenyl]acetamide
CID 172981252
3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 47004839

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide?
The IUPAC name of N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide (CID 172966190) is N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide is CC(=O)Nc1ccccc1/C=N/OC(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide?
The InChIKey is LAGWBAUXCUJOLA-SSDVNMTOSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-12(14-7-5-8-16(10-14)18(19,20)21)25-22-11-15-6-3-4-9-17(15)23-13(2)24/h3-12H,1-2H3,(H,23,24)/b22-11+.
What are the key properties of N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide?
N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide has a molecular weight of 350.34 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide is sourced from PubChem (CID 172966190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).