N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide

C18H14ClF6N3O2 — CID 131736890

IUPACN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide
SMILESCCON=C(CNC(=O)c1ccccc1C(F)(F)F)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H14ClF6N3O2/c1-2-30-28-14(15-13(19)7-10(8-26-15)17(20,21)22)9-27-16(29)11-5-3-4-6-12(11)18(23,24)25/h3-8H,2,9H2,1H3,(H,27,29)
InChIKeyYCABUXMGXHXJRC-UHFFFAOYSA-N
MW453.77 g/mol
LogP4.94
Rot. Bonds6

About N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide

N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide (PubChem CID 131736890) has the molecular formula C18H14ClF6N3O2 and a molecular weight of 453.77 g/mol. Its IUPAC name is N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide
PubChem CID131736890
Molecular FormulaC18H14ClF6N3O2
Molecular Weight453.77 g/mol
Exact Mass453.07
IUPAC NameN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide
SMILESCCON=C(CNC(=O)c1ccccc1C(F)(F)F)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H14ClF6N3O2/c1-2-30-28-14(15-13(19)7-10(8-26-15)17(20,21)22)9-27-16(29)11-5-3-4-6-12(11)18(23,24)25/h3-8H,2,9H2,1H3,(H,27,29)
InChIKeyYCABUXMGXHXJRC-UHFFFAOYSA-N
XLogP4.94
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.77
LogP ≤ 54.94
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-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-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide
CID 141385424
N'-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzenecarboximidamide
CID 150869454
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(trifluoromethyl)benzamide
CID 27888731
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 87667694
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 135182236
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyanoethyl]-2-(trifluoromethyl)benzamide
CID 176908109
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate
CID 142381958
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxyethyl]-2-(trifluoromethyl)benzamide
CID 86732539
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide
CID 74766847
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-iodobenzamide
CID 74767005

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide (CID 131736890) is N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide is CCON=C(CNC(=O)c1ccccc1C(F)(F)F)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is YCABUXMGXHXJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF6N3O2/c1-2-30-28-14(15-13(19)7-10(8-26-15)17(20,21)22)9-27-16(29)11-5-3-4-6-12(11)18(23,24)25/h3-8H,2,9H2,1H3,(H,27,29).
What are the key properties of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide?
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 453.77 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 131736890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).