ethyl 2-[(4-nitrobenzoyl)amino]benzoate

C16H14N2O5 — CID 710786

IUPACethyl 2-[(4-nitrobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O5/c1-2-23-16(20)13-5-3-4-6-14(13)17-15(19)11-7-9-12(10-8-11)18(21)22/h3-10H,2H2,1H3,(H,17,19)
InChIKeyJZWBZRKMYFWJPY-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.02
Rot. Bonds5

About ethyl 2-[(4-nitrobenzoyl)amino]benzoate

ethyl 2-[(4-nitrobenzoyl)amino]benzoate (PubChem CID 710786) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is ethyl 2-[(4-nitrobenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-nitrobenzoyl)amino]benzoate
PubChem CID710786
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Nameethyl 2-[(4-nitrobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O5/c1-2-23-16(20)13-5-3-4-6-14(13)17-15(19)11-7-9-12(10-8-11)18(21)22/h3-10H,2H2,1H3,(H,17,19)
InChIKeyJZWBZRKMYFWJPY-UHFFFAOYSA-N
XLogP3.02
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Methyl n-acetylanthranilate
CID 17623
2-(4-Nitroanilino)benzoic acid
CID 201986
Ethyl 4-(benzoylamino)benzoate
CID 12914
Ethyl 4-acetamido-3-nitrobenzoate
CID 2826598
2-(4-Fluorobenzoylamino)benzoic acid methyl ester
CID 310557
4-Phenylacetylamino-benzoic acid methyl ester
CID 669121
Methyl 2-[(2-methyl-1-oxopropyl)amino]benzoate
CID 829361
2-Fluorobenzyl 2-(acetylamino)benzoate
CID 1262491
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl benzoate
CID 664207
Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133
4-Nitro-isatoic anhydride
CID 282089
Methyl 2-benzamidobenzoate
CID 347181

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-nitrobenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-[(4-nitrobenzoyl)amino]benzoate (CID 710786) is ethyl 2-[(4-nitrobenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(4-nitrobenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(4-nitrobenzoyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of ethyl 2-[(4-nitrobenzoyl)amino]benzoate?
The InChIKey is JZWBZRKMYFWJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-2-23-16(20)13-5-3-4-6-14(13)17-15(19)11-7-9-12(10-8-11)18(21)22/h3-10H,2H2,1H3,(H,17,19).
What are the key properties of ethyl 2-[(4-nitrobenzoyl)amino]benzoate?
ethyl 2-[(4-nitrobenzoyl)amino]benzoate has a molecular weight of 314.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-nitrobenzoyl)amino]benzoate is sourced from PubChem (CID 710786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).