[4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate

C21H16N2O6 — CID 26190244

IUPAC[4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H16N2O6/c1-28-19-5-3-2-4-18(19)20(24)22-15-8-12-17(13-9-15)29-21(25)14-6-10-16(11-7-14)23(26)27/h2-13H,1H3,(H,22,24)
InChIKeyOWGKECHHAKHMJS-UHFFFAOYSA-N
MW392.37 g/mol
LogP4.07
Rot. Bonds6

About [4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate

[4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate (PubChem CID 26190244) has the molecular formula C21H16N2O6 and a molecular weight of 392.37 g/mol. Its IUPAC name is [4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate.

Molecular Properties

Compound Name[4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate
PubChem CID26190244
Molecular FormulaC21H16N2O6
Molecular Weight392.37 g/mol
Exact Mass392.10
IUPAC Name[4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H16N2O6/c1-28-19-5-3-2-4-18(19)20(24)22-15-8-12-17(13-9-15)29-21(25)14-6-10-16(11-7-14)23(26)27/h2-13H,1H3,(H,22,24)
InChIKeyOWGKECHHAKHMJS-UHFFFAOYSA-N
XLogP4.07
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxoethyl] 2-methoxybenzoate
CID 19645428
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
[4-[(2-methoxybenzoyl)amino]phenyl] 2-chloropyridine-4-carboxylate
CID 32694424
[2-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 1100671
[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
CID 8917316
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-(4-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 2389976
N-[4-(hydrazinecarbonyl)phenyl]-2-methoxybenzamide
CID 139030098
[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
CID 26699631
methyl 2-methoxy-5-[(4-nitrophenoxy)carbonylamino]benzoate
CID 58572101
(4-nitrophenyl) 4-phenylbenzoate
CID 788881

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate?
The IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate (CID 26190244) is [4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate.
What is the SMILES notation for [4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate?
The canonical SMILES for [4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate is COc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of [4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate?
The InChIKey is OWGKECHHAKHMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O6/c1-28-19-5-3-2-4-18(19)20(24)22-15-8-12-17(13-9-15)29-21(25)14-6-10-16(11-7-14)23(26)27/h2-13H,1H3,(H,22,24).
What are the key properties of [4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate?
[4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate has a molecular weight of 392.37 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate is sourced from PubChem (CID 26190244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).