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

C16H14N2O5 — CID 744546

IUPACethyl 4-[(4-nitrobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H14N2O5/c1-2-23-16(20)12-3-7-13(8-4-12)17-15(19)11-5-9-14(10-6-11)18(21)22/h3-10H,2H2,1H3,(H,17,19)
InChIKeyVGGSVWVYEYVFFO-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.02
Rot. Bonds5

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

ethyl 4-[(4-nitrobenzoyl)amino]benzoate (PubChem CID 744546) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is ethyl 4-[(4-nitrobenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-nitrobenzoyl)amino]benzoate
PubChem CID744546
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Nameethyl 4-[(4-nitrobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H14N2O5/c1-2-23-16(20)12-3-7-13(8-4-12)17-15(19)11-5-9-14(10-6-11)18(21)22/h3-10H,2H2,1H3,(H,17,19)
InChIKeyVGGSVWVYEYVFFO-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

ethyl 4-[(2,4-dinitrobenzoyl)amino]benzoate
CID 3102908
ethyl 5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 2860504
ethyl 4-(hydroxyamino)benzoate;ethyl 4-nitrobenzoate;methane
CID 159079628
3-methylbutyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 1118991
ethyl 4-[(4-amino-3-nitrobenzoyl)amino]benzoate
CID 8885571
ethyl 3-[(4-methylphenyl)carbamoyl]-5-nitrobenzoate
CID 8760197
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
[2-(4-benzamidophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 5209942
ethyl 3-[(4-fluorophenyl)carbamoyl]-5-nitrobenzoate
CID 26915534
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
ethyl (Z)-2-cyano-3-hydroxy-3-[4-[(4-nitrobenzoyl)amino]phenyl]prop-2-enoate
CID 54677749

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-nitrobenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-nitrobenzoyl)amino]benzoate (CID 744546) is ethyl 4-[(4-nitrobenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-nitrobenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-nitrobenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of ethyl 4-[(4-nitrobenzoyl)amino]benzoate?
The InChIKey is VGGSVWVYEYVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-2-23-16(20)12-3-7-13(8-4-12)17-15(19)11-5-9-14(10-6-11)18(21)22/h3-10H,2H2,1H3,(H,17,19).
What are the key properties of ethyl 4-[(4-nitrobenzoyl)amino]benzoate?
ethyl 4-[(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 4-[(4-nitrobenzoyl)amino]benzoate is sourced from PubChem (CID 744546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).