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

C16H14INO3 — CID 1372273

IUPACethyl 4-[(4-iodobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H14INO3/c1-2-21-16(20)12-5-9-14(10-6-12)18-15(19)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3,(H,18,19)
InChIKeyLDESCVRGJDSLAL-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.72
Rot. Bonds4

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

ethyl 4-[(4-iodobenzoyl)amino]benzoate (PubChem CID 1372273) has the molecular formula C16H14INO3 and a molecular weight of 395.20 g/mol. Its IUPAC name is ethyl 4-[(4-iodobenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-iodobenzoyl)amino]benzoate
PubChem CID1372273
Molecular FormulaC16H14INO3
Molecular Weight395.20 g/mol
Exact Mass395.00
IUPAC Nameethyl 4-[(4-iodobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H14INO3/c1-2-21-16(20)12-5-9-14(10-6-12)18-15(19)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3,(H,18,19)
InChIKeyLDESCVRGJDSLAL-UHFFFAOYSA-N
XLogP3.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
butyl 4-[(4-iodobenzoyl)amino]benzoate
CID 2164958
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 2677138
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-iodobenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-iodobenzoyl)amino]benzoate (CID 1372273) is ethyl 4-[(4-iodobenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-iodobenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-iodobenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-iodobenzoyl)amino]benzoate?
The InChIKey is LDESCVRGJDSLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO3/c1-2-21-16(20)12-5-9-14(10-6-12)18-15(19)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of ethyl 4-[(4-iodobenzoyl)amino]benzoate?
ethyl 4-[(4-iodobenzoyl)amino]benzoate has a molecular weight of 395.20 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-iodobenzoyl)amino]benzoate is sourced from PubChem (CID 1372273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).