2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide

C17H14ClF3N2O3 — CID 153465091

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H14ClF3N2O3/c1-11-8-13(18)6-7-14(11)25-10-16(24)23-22-9-12-4-2-3-5-15(12)26-17(19,20)21/h2-9H,10H2,1H3,(H,23,24)/b22-9+
InChIKeyZHUMOPHHIOSSLV-LSFURLLWSA-N
MW386.76 g/mol
LogP4.08
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide (PubChem CID 153465091) has the molecular formula C17H14ClF3N2O3 and a molecular weight of 386.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide
PubChem CID153465091
Molecular FormulaC17H14ClF3N2O3
Molecular Weight386.76 g/mol
Exact Mass386.06
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H14ClF3N2O3/c1-11-8-13(18)6-7-14(11)25-10-16(24)23-22-9-12-4-2-3-5-15(12)26-17(19,20)21/h2-9H,10H2,1H3,(H,23,24)/b22-9+
InChIKeyZHUMOPHHIOSSLV-LSFURLLWSA-N
XLogP4.08
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(4-Chloro-2-methylphenoxy)-[(2-methoxyphenyl)methylene]hydrazideAceticAcid
CID 9556542
2-(4-chloro-2-methylphenoxy)-N'-cycloheptylidenepropanehydrazide
CID 4263972
(2E)-2-(5-chloro-2-ethoxybenzylidene)hydrazinecarboxamide
CID 9557943
2-(4-chloro-2-methylphenoxy)-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
CID 6870687
2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9651715
2-(4-chloro-2-methylphenoxy)-N-[(E)-1-[2-(trifluoromethoxy)phenyl]ethylideneamino]acetamide
CID 153465093
2-(2,4-Dichlorophenoxy)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135641762
Acetic acid, ((4-chloro-o-tolyl)oxy)-, hydrazide
CID 149463
[2-({[(2,4-Dichlorophenoxy)acetyl]hydrazono}methyl)phenoxy]acetic acid
CID 5333629
2-(4-chloro-2-methylphenoxy)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)acetohydrazide
CID 5902738
2-(2-allylphenoxy)-N'-(2-ethoxybenzylidene)acetohydrazide
CID 6876587
2-(4-Chloro-2-methylphenoxy)-N'-[(1E)-2,3,4,5-tetrahydroxyhexylidene]acetohydrazide
CID 9608726

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide (CID 153465091) is 2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide is Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide?
The InChIKey is ZHUMOPHHIOSSLV-LSFURLLWSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3/c1-11-8-13(18)6-7-14(11)25-10-16(24)23-22-9-12-4-2-3-5-15(12)26-17(19,20)21/h2-9H,10H2,1H3,(H,23,24)/b22-9+.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide has a molecular weight of 386.76 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 153465091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).