2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

C18H14N4O5 — CID 108747829

IUPAC2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C18H14N4O5/c23-17-9-8-16(20-21-17)12-2-1-3-13(10-12)19-18(24)11-27-15-6-4-14(5-7-15)22(25)26/h1-10H,11H2,(H,19,24)(H,21,23)
InChIKeySXTRTPAWMOTING-UHFFFAOYSA-N
MW366.33 g/mol
LogP2.36
Rot. Bonds6

About 2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 108747829) has the molecular formula C18H14N4O5 and a molecular weight of 366.33 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID108747829
Molecular FormulaC18H14N4O5
Molecular Weight366.33 g/mol
Exact Mass366.10
IUPAC Name2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C18H14N4O5/c23-17-9-8-16(20-21-17)12-2-1-3-13(10-12)19-18(24)11-27-15-6-4-14(5-7-15)22(25)26/h1-10H,11H2,(H,19,24)(H,21,23)
InChIKeySXTRTPAWMOTING-UHFFFAOYSA-N
XLogP2.36
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide
CID 122145951
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108769888
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 49033929
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
CID 49035162
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55610642
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 17359051
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (CID 108747829) is 2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2ccc(=O)[nH]n2)c1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is SXTRTPAWMOTING-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5/c23-17-9-8-16(20-21-17)12-2-1-3-13(10-12)19-18(24)11-27-15-6-4-14(5-7-15)22(25)26/h1-10H,11H2,(H,19,24)(H,21,23).
What are the key properties of 2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 366.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 108747829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).