N-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide

C18H16Cl2F3N3O2 — CID 141385420

IUPACN-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide
SMILESCCCO/N=C(/CNC(=O)c1ccccc1C(F)(F)F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2F3N3O2/c1-2-7-28-26-15(16-14(20)8-11(19)9-24-16)10-25-17(27)12-5-3-4-6-13(12)18(21,22)23/h3-6,8-9H,2,7,10H2,1H3,(H,25,27)/b26-15-
InChIKeyVYJVKVXCPLMZSS-YSMPRRRNSA-N
MW434.25 g/mol
LogP4.97
Rot. Bonds7

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

N-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide (PubChem CID 141385420) has the molecular formula C18H16Cl2F3N3O2 and a molecular weight of 434.25 g/mol. Its IUPAC name is N-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide
PubChem CID141385420
Molecular FormulaC18H16Cl2F3N3O2
Molecular Weight434.25 g/mol
Exact Mass433.06
IUPAC NameN-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide
SMILESCCCO/N=C(/CNC(=O)c1ccccc1C(F)(F)F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2F3N3O2/c1-2-7-28-26-15(16-14(20)8-11(19)9-24-16)10-25-17(27)12-5-3-4-6-13(12)18(21,22)23/h3-6,8-9H,2,7,10H2,1H3,(H,25,27)/b26-15-
InChIKeyVYJVKVXCPLMZSS-YSMPRRRNSA-N
XLogP4.97
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.25
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[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-(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-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide
CID 118071683
heptyl 2-[[2-(trifluoromethyl)benzoyl]amino]acetate
CID 6424754
N'-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzenecarboximidamide
CID 150869454
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(trifluoromethyl)benzamide
CID 27888731
N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 118025025

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide (CID 141385420) is N-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide is CCCO/N=C(/CNC(=O)c1ccccc1C(F)(F)F)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is VYJVKVXCPLMZSS-YSMPRRRNSA-N. The full InChI is InChI=1S/C18H16Cl2F3N3O2/c1-2-7-28-26-15(16-14(20)8-11(19)9-24-16)10-25-17(27)12-5-3-4-6-13(12)18(21,22)23/h3-6,8-9H,2,7,10H2,1H3,(H,25,27)/b26-15-.
What are the key properties of N-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide?
N-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 434.25 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 141385420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).