N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide

C17H14Cl2F3N3O2 — CID 118071683

IUPACN-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCO/N=C(\c1ncc(Cl)cc1Cl)C(C)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14Cl2F3N3O2/c1-9(14(25-27-2)15-13(19)7-10(18)8-23-15)24-16(26)11-5-3-4-6-12(11)17(20,21)22/h3-9H,1-2H3,(H,24,26)/b25-14-
InChIKeyWBIWMPHKVZAWOH-QFEZKATASA-N
MW420.22 g/mol
LogP4.58
Rot. Bonds5

About N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide

N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 118071683) has the molecular formula C17H14Cl2F3N3O2 and a molecular weight of 420.22 g/mol. Its IUPAC name is N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide
PubChem CID118071683
Molecular FormulaC17H14Cl2F3N3O2
Molecular Weight420.22 g/mol
Exact Mass419.04
IUPAC NameN-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCO/N=C(\c1ncc(Cl)cc1Cl)C(C)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14Cl2F3N3O2/c1-9(14(25-27-2)15-13(19)7-10(18)8-23-15)24-16(26)11-5-3-4-6-12(11)17(20,21)22/h3-9H,1-2H3,(H,24,26)/b25-14-
InChIKeyWBIWMPHKVZAWOH-QFEZKATASA-N
XLogP4.58
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.22
LogP ≤ 54.58
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-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide
CID 141385420
N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide
CID 141385424
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide
CID 74766847
N-[(2Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide
CID 118071504
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide
CID 131736890
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxyethyl]-2-(trifluoromethyl)benzamide
CID 86732539
methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134635499
N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-2-(trifluoromethyl)benzamide
CID 173093170
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate
CID 51276559
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 55798665
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide (CID 118071683) is N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide is CO/N=C(\c1ncc(Cl)cc1Cl)C(C)NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is WBIWMPHKVZAWOH-QFEZKATASA-N. The full InChI is InChI=1S/C17H14Cl2F3N3O2/c1-9(14(25-27-2)15-13(19)7-10(18)8-23-15)24-16(26)11-5-3-4-6-12(11)17(20,21)22/h3-9H,1-2H3,(H,24,26)/b25-14-.
What are the key properties of N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide?
N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 420.22 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 118071683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).