(3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide

C16H13F2N3O4 — CID 20850504

IUPAC(3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide
SMILESO=C(C/C=N/OCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13F2N3O4/c17-12-3-6-15(14(18)9-12)20-16(22)7-8-19-25-10-11-1-4-13(5-2-11)21(23)24/h1-6,8-9H,7,10H2,(H,20,22)/b19-8+
InChIKeyOGXRBLASTOONML-UFWORHAWSA-N
MW349.29 g/mol
LogP3.40
Rot. Bonds7

About (3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide

(3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide (PubChem CID 20850504) has the molecular formula C16H13F2N3O4 and a molecular weight of 349.29 g/mol. Its IUPAC name is (3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide.

Molecular Properties

Compound Name(3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide
PubChem CID20850504
Molecular FormulaC16H13F2N3O4
Molecular Weight349.29 g/mol
Exact Mass349.09
IUPAC Name(3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide
SMILESO=C(C/C=N/OCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13F2N3O4/c17-12-3-6-15(14(18)9-12)20-16(22)7-8-19-25-10-11-1-4-13(5-2-11)21(23)24/h1-6,8-9H,7,10H2,(H,20,22)/b19-8+
InChIKeyOGXRBLASTOONML-UFWORHAWSA-N
XLogP3.40
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea
CID 2206096
(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide
CID 20850503
N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide
CID 43246952
N-(2,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 4818651
N-(2,4-difluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2955750
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
N-(4-bromo-2-fluorophenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]acetamide
CID 2480406
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721
N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605418
N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
CID 63877274
(4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 3455489
N-(2,4-difluorophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9408977

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide?
The IUPAC name of (3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide (CID 20850504) is (3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide.
What is the SMILES notation for (3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide?
The canonical SMILES for (3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide is O=C(C/C=N/OCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F.
What is the InChIKey of (3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide?
The InChIKey is OGXRBLASTOONML-UFWORHAWSA-N. The full InChI is InChI=1S/C16H13F2N3O4/c17-12-3-6-15(14(18)9-12)20-16(22)7-8-19-25-10-11-1-4-13(5-2-11)21(23)24/h1-6,8-9H,7,10H2,(H,20,22)/b19-8+.
What are the key properties of (3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide?
(3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide has a molecular weight of 349.29 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(2,4-difluorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide is sourced from PubChem (CID 20850504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).