methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate

C17H15IN2O4 — CID 46828278

IUPACmethyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C17H15IN2O4/c1-24-15(21)10-19-16(22)11-4-8-14(9-5-11)20-17(23)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyBODONEUDLSLPDW-UHFFFAOYSA-N
MW438.22 g/mol
LogP2.45
Rot. Bonds5

About methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate

methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate (PubChem CID 46828278) has the molecular formula C17H15IN2O4 and a molecular weight of 438.22 g/mol. Its IUPAC name is methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
PubChem CID46828278
Molecular FormulaC17H15IN2O4
Molecular Weight438.22 g/mol
Exact Mass438.01
IUPAC Namemethyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C17H15IN2O4/c1-24-15(21)10-19-16(22)11-4-8-14(9-5-11)20-17(23)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyBODONEUDLSLPDW-UHFFFAOYSA-N
XLogP2.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.22
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
methyl 2-[[4-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoyl]amino]acetate
CID 46636688
methyl 2-[[4-[(2-iodo-3-methylbenzoyl)amino]benzoyl]amino]acetate
CID 38930563
N-(4-iodophenyl)-4-(methoxymethyl)benzamide
CID 8571988
methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate
CID 46569462
methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate
CID 60596590
methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate
CID 46828283
[2-(4-iodoanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2488185
4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide
CID 121062019
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate (CID 46828278) is methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate?
The InChIKey is BODONEUDLSLPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O4/c1-24-15(21)10-19-16(22)11-4-8-14(9-5-11)20-17(23)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate?
methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate has a molecular weight of 438.22 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate is sourced from PubChem (CID 46828278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).