N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide

C22H20N4O6 — CID 16959110

IUPACN-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COc3cccnc3[N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H20N4O6/c1-2-31-18-11-9-17(10-12-18)25-22(28)15-5-7-16(8-6-15)24-20(27)14-32-19-4-3-13-23-21(19)26(29)30/h3-13H,2,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyYFZBUNZCBYAJCP-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.66
Rot. Bonds9

About N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide

N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide (PubChem CID 16959110) has the molecular formula C22H20N4O6 and a molecular weight of 436.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
PubChem CID16959110
Molecular FormulaC22H20N4O6
Molecular Weight436.42 g/mol
Exact Mass436.14
IUPAC NameN-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COc3cccnc3[N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H20N4O6/c1-2-31-18-11-9-17(10-12-18)25-22(28)15-5-7-16(8-6-15)24-20(27)14-32-19-4-3-13-23-21(19)26(29)30/h3-13H,2,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyYFZBUNZCBYAJCP-UHFFFAOYSA-N
XLogP3.66
TPSA132.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide
CID 16959114
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 3347612
4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide
CID 40662450
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
3-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 29338744
N-(4-fluoro-3-nitrophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4840036
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021
N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8893390
methyl 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-nitrobenzoate
CID 30122444
N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 16796852

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide (CID 16959110) is N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)COc3cccnc3[N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide?
The InChIKey is YFZBUNZCBYAJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O6/c1-2-31-18-11-9-17(10-12-18)25-22(28)15-5-7-16(8-6-15)24-20(27)14-32-19-4-3-13-23-21(19)26(29)30/h3-13H,2,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide?
N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide has a molecular weight of 436.42 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide is sourced from PubChem (CID 16959110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).