N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

C16H13BrF3N3O2 — CID 135717023

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H13BrF3N3O2/c17-12-4-5-14(24)10(6-12)8-22-23-15(25)9-21-13-3-1-2-11(7-13)16(18,19)20/h1-8,21,24H,9H2,(H,23,25)/b22-8+
InChIKeyULFUDOLIKXFCQD-GZIVZEMBSA-N
MW416.20 g/mol
LogP3.74
Rot. Bonds5

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 135717023) has the molecular formula C16H13BrF3N3O2 and a molecular weight of 416.20 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID135717023
Molecular FormulaC16H13BrF3N3O2
Molecular Weight416.20 g/mol
Exact Mass415.01
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H13BrF3N3O2/c17-12-4-5-14(24)10(6-12)8-22-23-15(25)9-21-13-3-1-2-11(7-13)16(18,19)20/h1-8,21,24H,9H2,(H,23,25)/b22-8+
InChIKeyULFUDOLIKXFCQD-GZIVZEMBSA-N
XLogP3.74
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.20
LogP ≤ 53.74
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-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 3474608
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135852666
N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6902080
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 136852090
N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 137129490
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 137070113
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 135491245
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-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 7929512
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135419703
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135715866

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (CID 135717023) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is ULFUDOLIKXFCQD-GZIVZEMBSA-N. The full InChI is InChI=1S/C16H13BrF3N3O2/c17-12-4-5-14(24)10(6-12)8-22-23-15(25)9-21-13-3-1-2-11(7-13)16(18,19)20/h1-8,21,24H,9H2,(H,23,25)/b22-8+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 416.20 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 135717023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).