N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide

C15H11ClFN3O4 — CID 9316822

IUPACN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)N/N=C\c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H11ClFN3O4/c16-12-6-5-11(20(22)23)7-10(12)8-18-19-15(21)9-24-14-4-2-1-3-13(14)17/h1-8H,9H2,(H,19,21)/b18-8-
InChIKeyFIOSBNWODJYYMF-LSCVHKIXSA-N
MW351.72 g/mol
LogP2.92
Rot. Bonds6

About N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide

N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide (PubChem CID 9316822) has the molecular formula C15H11ClFN3O4 and a molecular weight of 351.72 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
PubChem CID9316822
Molecular FormulaC15H11ClFN3O4
Molecular Weight351.72 g/mol
Exact Mass351.04
IUPAC NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)N/N=C\c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H11ClFN3O4/c16-12-6-5-11(20(22)23)7-10(12)8-18-19-15(21)9-24-14-4-2-1-3-13(14)17/h1-8H,9H2,(H,19,21)/b18-8-
InChIKeyFIOSBNWODJYYMF-LSCVHKIXSA-N
XLogP2.92
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.72
LogP ≤ 52.92
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

N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 96881501
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135827964
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 135569525
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9317033
2-(2-chlorophenoxy)-N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 4006296
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1381839
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6899811
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 5153372
2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 3481888
2-[2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135716427
2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 6911035
4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
CID 9316823

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide (CID 9316822) is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)N/N=C\c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The InChIKey is FIOSBNWODJYYMF-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H11ClFN3O4/c16-12-6-5-11(20(22)23)7-10(12)8-18-19-15(21)9-24-14-4-2-1-3-13(14)17/h1-8H,9H2,(H,19,21)/b18-8-.
What are the key properties of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide has a molecular weight of 351.72 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 9316822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).