N-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide

C23H21N3O6 — CID 143723023

IUPACN-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide
SMILESCc1ccccc1C(=O)N(C=O)CCCOc1cc(-n2ccccc2=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C23H21N3O6/c1-17-7-2-3-8-19(17)23(29)24(16-27)12-6-14-32-21-15-18(10-11-20(21)26(30)31)25-13-5-4-9-22(25)28/h2-5,7-11,13,15-16H,6,12,14H2,1H3
InChIKeyVQTULRSTIXTERX-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.12
Rot. Bonds9

About N-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide

N-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide (PubChem CID 143723023) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is N-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide.

Molecular Properties

Compound NameN-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide
PubChem CID143723023
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC NameN-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide
SMILESCc1ccccc1C(=O)N(C=O)CCCOc1cc(-n2ccccc2=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C23H21N3O6/c1-17-7-2-3-8-19(17)23(29)24(16-27)12-6-14-32-21-15-18(10-11-20(21)26(30)31)25-13-5-4-9-22(25)28/h2-5,7-11,13,15-16H,6,12,14H2,1H3
InChIKeyVQTULRSTIXTERX-UHFFFAOYSA-N
XLogP3.12
TPSA111.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene
CID 112787536
2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone
CID 48838174
2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone
CID 60973116
1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one
CID 78917327
N-[2-(dimethylamino)ethyl]-4-(2-nitrophenoxy)butanamide
CID 84553929
2-ethyl-1-(4-nitro-3-propoxyphenyl)imidazole
CID 63812174
N-(2-methylphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549591
[4-(3-ethoxy-4-nitrophenyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 133350754
2-(2-oxo-1-pyridinyl)ethyl 5-methyl-2-nitrobenzoate
CID 71988169
1-(3-chloro-4-nitrophenyl)-3-methylpyridin-2-one
CID 59410745
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
1-(3-ethoxy-4-nitrophenyl)benzimidazole
CID 115885942

Frequently Asked Questions

What is the IUPAC name of N-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide?
The IUPAC name of N-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide (CID 143723023) is N-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide.
What is the SMILES notation for N-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide?
The canonical SMILES for N-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide is Cc1ccccc1C(=O)N(C=O)CCCOc1cc(-n2ccccc2=O)ccc1[N+](=O)[O-].
What is the InChIKey of N-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide?
The InChIKey is VQTULRSTIXTERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c1-17-7-2-3-8-19(17)23(29)24(16-27)12-6-14-32-21-15-18(10-11-20(21)26(30)31)25-13-5-4-9-22(25)28/h2-5,7-11,13,15-16H,6,12,14H2,1H3.
What are the key properties of N-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide?
N-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide has a molecular weight of 435.44 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2-methyl-N-[3-[2-nitro-5-(2-oxo-1-pyridinyl)phenoxy]propyl]benzamide is sourced from PubChem (CID 143723023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).