N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide

C15H12IN3O3 — CID 108530450

IUPACN-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C15H12IN3O3/c16-10-3-7-12(8-4-10)19-15(22)14(21)18-11-5-1-9(2-6-11)13(17)20/h1-8H,(H2,17,20)(H,18,21)(H,19,22)
InChIKeyLYYATAMRXCKFOQ-UHFFFAOYSA-N
MW409.18 g/mol
LogP1.97
Rot. Bonds3

About N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide

N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide (PubChem CID 108530450) has the molecular formula C15H12IN3O3 and a molecular weight of 409.18 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide
PubChem CID108530450
Molecular FormulaC15H12IN3O3
Molecular Weight409.18 g/mol
Exact Mass408.99
IUPAC NameN-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C15H12IN3O3/c16-10-3-7-12(8-4-10)19-15(22)14(21)18-11-5-1-9(2-6-11)13(17)20/h1-8H,(H2,17,20)(H,18,21)(H,19,22)
InChIKeyLYYATAMRXCKFOQ-UHFFFAOYSA-N
XLogP1.97
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.18
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide
CID 108513978
N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide
CID 43316270
N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide
CID 108529818
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
N-butyl-N'-(4-carbamoylphenyl)oxamide
CID 7584966
N-benzyl-N'-(4-carbamoylphenyl)oxamide
CID 7584954
N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide
CID 45001357
N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide
CID 108501638
N-[4-(4-iodobenzoyl)phenyl]acetamide
CID 43337938

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide (CID 108530450) is N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide is NC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide?
The InChIKey is LYYATAMRXCKFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O3/c16-10-3-7-12(8-4-10)19-15(22)14(21)18-11-5-1-9(2-6-11)13(17)20/h1-8H,(H2,17,20)(H,18,21)(H,19,22).
What are the key properties of N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide?
N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide has a molecular weight of 409.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide is sourced from PubChem (CID 108530450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).