4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide

C21H16N4O7 — CID 10646566

IUPAC4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
SMILESO=C(COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H16N4O7/c26-20(22-15-3-7-17(8-4-15)24(28)29)13-32-19-11-1-14(2-12-19)21(27)23-16-5-9-18(10-6-16)25(30)31/h1-12H,13H2,(H,22,26)(H,23,27)
InChIKeyVFEBUNYBCTYLAF-UHFFFAOYSA-N
MW436.38 g/mol
LogP3.77
Rot. Bonds8

About 4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide

4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide (PubChem CID 10646566) has the molecular formula C21H16N4O7 and a molecular weight of 436.38 g/mol. Its IUPAC name is 4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
PubChem CID10646566
Molecular FormulaC21H16N4O7
Molecular Weight436.38 g/mol
Exact Mass436.10
IUPAC Name4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
SMILESO=C(COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H16N4O7/c26-20(22-15-3-7-17(8-4-15)24(28)29)13-32-19-11-1-14(2-12-19)21(27)23-16-5-9-18(10-6-16)25(30)31/h1-12H,13H2,(H,22,26)(H,23,27)
InChIKeyVFEBUNYBCTYLAF-UHFFFAOYSA-N
XLogP3.77
TPSA153.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 53.77
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

2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
N-benzyl-4-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 28639887
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide
CID 32943243
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide
CID 19644971
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55610642
propyl 4-[[2-(4-nitrophenoxy)acetyl]amino]benzoate
CID 4501659
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1363218
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 1295054

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide?
The IUPAC name of 4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide (CID 10646566) is 4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide is O=C(COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide?
The InChIKey is VFEBUNYBCTYLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O7/c26-20(22-15-3-7-17(8-4-15)24(28)29)13-32-19-11-1-14(2-12-19)21(27)23-16-5-9-18(10-6-16)25(30)31/h1-12H,13H2,(H,22,26)(H,23,27).
What are the key properties of 4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide?
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide has a molecular weight of 436.38 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 10646566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).