2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide

C22H19F2N3O2 — CID 89156096

IUPAC2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(CC/C=N/OCc2ccccc2)cn1)c1c(F)cccc1F
InChIInChI=1S/C22H19F2N3O2/c23-18-9-4-10-19(24)21(18)22(28)27-20-12-11-16(14-25-20)8-5-13-26-29-15-17-6-2-1-3-7-17/h1-4,6-7,9-14H,5,8,15H2,(H,25,27,28)/b26-13+
InChIKeyXODFANKJOZERCB-LGJNPRDNSA-N
MW395.41 g/mol
LogP4.75
Rot. Bonds8

About 2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide

2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide (PubChem CID 89156096) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide
PubChem CID89156096
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(CC/C=N/OCc2ccccc2)cn1)c1c(F)cccc1F
InChIInChI=1S/C22H19F2N3O2/c23-18-9-4-10-19(24)21(18)22(28)27-20-12-11-16(14-25-20)8-5-13-26-29-15-17-6-2-1-3-7-17/h1-4,6-7,9-14H,5,8,15H2,(H,25,27,28)/b26-13+
InChIKeyXODFANKJOZERCB-LGJNPRDNSA-N
XLogP4.75
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.75
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'}

Analyze 2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 6167481
6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide
CID 53406980
N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 113031217
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113028188
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 86992589
N-(1-benzyl-1,2,4-triazol-3-yl)-2,6-difluorobenzamide
CID 4867026
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
CID 113027789
1-N-benzyl-4,5-dichloro-3-N-(5-chloro-2-pyridinyl)-2-fluorobenzene-1,3-dicarboxamide
CID 171463799
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878
methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
CID 24775151
N-[5-[(Z)-C-ethyl-N-pyrazin-2-yloxycarbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 89156315
4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid
CID 141120818

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide (CID 89156096) is 2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide is O=C(Nc1ccc(CC/C=N/OCc2ccccc2)cn1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide?
The InChIKey is XODFANKJOZERCB-LGJNPRDNSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c23-18-9-4-10-19(24)21(18)22(28)27-20-12-11-16(14-25-20)8-5-13-26-29-15-17-6-2-1-3-7-17/h1-4,6-7,9-14H,5,8,15H2,(H,25,27,28)/b26-13+.
What are the key properties of 2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide?
2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide has a molecular weight of 395.41 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 89156096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).