N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

C17H15ClF3N3O2 — CID 135745499

IUPACN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESC/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C17H15ClF3N3O2/c1-10(14-8-12(18)5-6-15(14)25)23-24-16(26)9-22-13-4-2-3-11(7-13)17(19,20)21/h2-8,22,25H,9H2,1H3,(H,24,26)/b23-10+
InChIKeyDDDBHYJOQZDOJA-AUEPDCJTSA-N
MW385.77 g/mol
LogP4.02
Rot. Bonds5

About N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 135745499) has the molecular formula C17H15ClF3N3O2 and a molecular weight of 385.77 g/mol. Its IUPAC name is N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID135745499
Molecular FormulaC17H15ClF3N3O2
Molecular Weight385.77 g/mol
Exact Mass385.08
IUPAC NameN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESC/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C17H15ClF3N3O2/c1-10(14-8-12(18)5-6-15(14)25)23-24-16(26)9-22-13-4-2-3-11(7-13)17(19,20)21/h2-8,22,25H,9H2,1H3,(H,24,26)/b23-10+
InChIKeyDDDBHYJOQZDOJA-AUEPDCJTSA-N
XLogP4.02
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6162109
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 136852090
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135852666
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135717023
N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2353624
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135659384
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
1-[(Z)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 135854175
N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 7929512
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (CID 135745499) is N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1O.
What is the InChIKey of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is DDDBHYJOQZDOJA-AUEPDCJTSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2/c1-10(14-8-12(18)5-6-15(14)25)23-24-16(26)9-22-13-4-2-3-11(7-13)17(19,20)21/h2-8,22,25H,9H2,1H3,(H,24,26)/b23-10+.
What are the key properties of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 385.77 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 135745499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).