N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide

C16H12BrClF3N3O2 — CID 141385424

IUPACN-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide
SMILESCO/N=C(/CNC(=O)c1ccccc1C(F)(F)F)c1ncc(Br)cc1Cl
InChIInChI=1S/C16H12BrClF3N3O2/c1-26-24-13(14-12(18)6-9(17)7-22-14)8-23-15(25)10-4-2-3-5-11(10)16(19,20)21/h2-7H,8H2,1H3,(H,23,25)/b24-13-
InChIKeyMPYSTDVUAKZXHB-CFRMEGHHSA-N
MW450.64 g/mol
LogP4.30
Rot. Bonds5

About N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide

N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide (PubChem CID 141385424) has the molecular formula C16H12BrClF3N3O2 and a molecular weight of 450.64 g/mol. Its IUPAC name is N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide
PubChem CID141385424
Molecular FormulaC16H12BrClF3N3O2
Molecular Weight450.64 g/mol
Exact Mass448.98
IUPAC NameN-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide
SMILESCO/N=C(/CNC(=O)c1ccccc1C(F)(F)F)c1ncc(Br)cc1Cl
InChIInChI=1S/C16H12BrClF3N3O2/c1-26-24-13(14-12(18)6-9(17)7-22-14)8-23-15(25)10-4-2-3-5-11(10)16(19,20)21/h2-7H,8H2,1H3,(H,23,25)/b24-13-
InChIKeyMPYSTDVUAKZXHB-CFRMEGHHSA-N
XLogP4.30
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.64
LogP ≤ 54.30
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-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide
CID 131736890
N-[(2Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide
CID 118071504
N-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide
CID 141385420
N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide
CID 118071683
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide
CID 74766847
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-[2-(5-bromo-3-chloro-2-pyridinyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide;N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide;(4-chlorophenyl)boronic acid
CID 159679340
5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 155923576
5-bromo-3-chloro-N-ethylpyridine-2-carboxamide
CID 155923575
5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 70896660
N-[2-[3-chloro-5-(4-methoxyphenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 118033974

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide (CID 141385424) is N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide is CO/N=C(/CNC(=O)c1ccccc1C(F)(F)F)c1ncc(Br)cc1Cl.
What is the InChIKey of N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is MPYSTDVUAKZXHB-CFRMEGHHSA-N. The full InChI is InChI=1S/C16H12BrClF3N3O2/c1-26-24-13(14-12(18)6-9(17)7-22-14)8-23-15(25)10-4-2-3-5-11(10)16(19,20)21/h2-7H,8H2,1H3,(H,23,25)/b24-13-.
What are the key properties of N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide?
N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 450.64 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 141385424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).