4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide

C14H10I2N2O3 — CID 87933857

IUPAC4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide
SMILESO=C(NONC(=O)c1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C14H10I2N2O3/c15-11-5-1-9(2-6-11)13(19)17-21-18-14(20)10-3-7-12(16)8-4-10/h1-8H,(H,17,19)(H,18,20)
InChIKeyOMNUGYZRBBSWNJ-UHFFFAOYSA-N
MW508.05 g/mol
LogP2.90
Rot. Bonds4

About 4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide

4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide (PubChem CID 87933857) has the molecular formula C14H10I2N2O3 and a molecular weight of 508.05 g/mol. Its IUPAC name is 4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide.

Molecular Properties

Compound Name4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide
PubChem CID87933857
Molecular FormulaC14H10I2N2O3
Molecular Weight508.05 g/mol
Exact Mass507.88
IUPAC Name4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide
SMILESO=C(NONC(=O)c1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C14H10I2N2O3/c15-11-5-1-9(2-6-11)13(19)17-21-18-14(20)10-3-7-12(16)8-4-10/h1-8H,(H,17,19)(H,18,20)
InChIKeyOMNUGYZRBBSWNJ-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.05
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
N-(2-amino-2-oxoethyl)-4-iodobenzamide
CID 60668486
N-dichlorophosphoryl-4-iodobenzamide
CID 165356535
bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
(4-iodobenzoyl) 4-iodobenzenecarboperoxoate
CID 141495091
4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 63525460
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
4-iodo-N-pyrrol-1-ylbenzamide
CID 79107507
4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 78909417
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide
CID 78773250

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide?
The IUPAC name of 4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide (CID 87933857) is 4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide.
What is the SMILES notation for 4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide?
The canonical SMILES for 4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide is O=C(NONC(=O)c1ccc(I)cc1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide?
The InChIKey is OMNUGYZRBBSWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10I2N2O3/c15-11-5-1-9(2-6-11)13(19)17-21-18-14(20)10-3-7-12(16)8-4-10/h1-8H,(H,17,19)(H,18,20).
What are the key properties of 4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide?
4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide has a molecular weight of 508.05 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide is sourced from PubChem (CID 87933857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).