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

C17H15BrF3N3O2 — CID 3474608

IUPACN-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15BrF3N3O2/c1-26-15-6-5-13(18)7-11(15)9-23-24-16(25)10-22-14-4-2-3-12(8-14)17(19,20)21/h2-9,22H,10H2,1H3,(H,24,25)
InChIKeyCZQKZERBEGCATE-UHFFFAOYSA-N
MW430.22 g/mol
LogP4.04
Rot. Bonds6

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

N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 3474608) has the molecular formula C17H15BrF3N3O2 and a molecular weight of 430.22 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID3474608
Molecular FormulaC17H15BrF3N3O2
Molecular Weight430.22 g/mol
Exact Mass429.03
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15BrF3N3O2/c1-26-15-6-5-13(18)7-11(15)9-23-24-16(25)10-22-14-4-2-3-12(8-14)17(19,20)21/h2-9,22H,10H2,1H3,(H,24,25)
InChIKeyCZQKZERBEGCATE-UHFFFAOYSA-N
XLogP4.04
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.22
LogP ≤ 54.04
H-Bond Donors ≤ 52
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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135717023
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2824721
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135659384
N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6902080
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-chloroanilino)acetamide
CID 4573568
N'-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-[4-(trifluoromethyl)phenyl]butanediamide
CID 19579638
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135852666
N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 7929512
N'-[(Z)-[5-bromo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126168287
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 136852090
2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 92534259
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-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (CID 3474608) is N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is COc1ccc(Br)cc1C=NNC(=O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is CZQKZERBEGCATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3N3O2/c1-26-15-6-5-13(18)7-11(15)9-23-24-16(25)10-22-14-4-2-3-12(8-14)17(19,20)21/h2-9,22H,10H2,1H3,(H,24,25).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 430.22 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 3474608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).