N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H11BrF3N3O2 — CID 2318414

IUPACN-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C15H11BrF3N3O2/c16-12-3-1-2-10(6-12)7-20-21-13(23)9-22-8-11(15(17,18)19)4-5-14(22)24/h1-8H,9H2,(H,21,23)
InChIKeyKAJYXMWUACNLQR-UHFFFAOYSA-N
MW402.17 g/mol
LogP2.78
Rot. Bonds4

About N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2318414) has the molecular formula C15H11BrF3N3O2 and a molecular weight of 402.17 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2318414
Molecular FormulaC15H11BrF3N3O2
Molecular Weight402.17 g/mol
Exact Mass401.00
IUPAC NameN-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C15H11BrF3N3O2/c16-12-3-1-2-10(6-12)7-20-21-13(23)9-22-8-11(15(17,18)19)4-5-14(22)24/h1-8H,9H2,(H,21,23)
InChIKeyKAJYXMWUACNLQR-UHFFFAOYSA-N
XLogP2.78
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.17
LogP ≤ 52.78
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

N-[(Z)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 6269141
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6899887
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6902080
2-(azepan-1-yl)-N-[(3-bromophenyl)methylideneamino]acetamide
CID 791925
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899831
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
2-piperidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 23723072
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005141
[2-(3-bromoanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 18280639
N-(3-acetamidophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277669

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2318414) is N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is KAJYXMWUACNLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3N3O2/c16-12-3-1-2-10(6-12)7-20-21-13(23)9-22-8-11(15(17,18)19)4-5-14(22)24/h1-8H,9H2,(H,21,23).
What are the key properties of N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 402.17 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2318414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).