2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide

C15H12ClN3O5 — CID 5084295

IUPAC2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1cccc(Cl)c1)NN=Cc1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN3O5/c16-11-2-1-3-13(7-11)24-9-15(21)18-17-8-10-6-12(20)4-5-14(10)19(22)23/h1-8,20H,9H2,(H,18,21)
InChIKeyRACLROPVTCCAHJ-UHFFFAOYSA-N
MW349.73 g/mol
LogP2.48
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide

2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide (PubChem CID 5084295) has the molecular formula C15H12ClN3O5 and a molecular weight of 349.73 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
PubChem CID5084295
Molecular FormulaC15H12ClN3O5
Molecular Weight349.73 g/mol
Exact Mass349.05
IUPAC Name2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1cccc(Cl)c1)NN=Cc1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN3O5/c16-11-2-1-3-13(7-11)24-9-15(21)18-17-8-10-6-12(20)4-5-14(10)19(22)23/h1-8,20H,9H2,(H,18,21)
InChIKeyRACLROPVTCCAHJ-UHFFFAOYSA-N
XLogP2.48
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.73
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(3-chlorophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 7039264
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 40520553
2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 1246133
2-(3-chlorophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5401693
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 96881501
2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 25251574
2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 7039861
2-(3-chlorophenoxy)-N-[(5-methyl-4-nitrothiophen-2-yl)methylideneamino]acetamide
CID 1271094
2-(3-chlorophenoxy)-N-[(Z)-(5-methyl-4-nitrothiophen-2-yl)methylideneamino]acetamide
CID 5499272
3-[(Z)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 6921972
2-(3-chlorophenoxy)-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 19165680
2-(2-cyanophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 4079853

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide (CID 5084295) is 2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide is O=C(COc1cccc(Cl)c1)NN=Cc1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is RACLROPVTCCAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O5/c16-11-2-1-3-13(7-11)24-9-15(21)18-17-8-10-6-12(20)4-5-14(10)19(22)23/h1-8,20H,9H2,(H,18,21).
What are the key properties of 2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide?
2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 349.73 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5084295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).