1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide

C20H14I2N2O2 — CID 2852267

IUPAC1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
SMILESO=C(Nc1ccc(I)cc1)c1ccccc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C20H14I2N2O2/c21-13-5-9-15(10-6-13)23-19(25)17-3-1-2-4-18(17)20(26)24-16-11-7-14(22)8-12-16/h1-12H,(H,23,25)(H,24,26)
InChIKeyPNHNSLIWCCFVAR-UHFFFAOYSA-N
MW568.15 g/mol
LogP5.40
Rot. Bonds4

About 1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide

1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide (PubChem CID 2852267) has the molecular formula C20H14I2N2O2 and a molecular weight of 568.15 g/mol. Its IUPAC name is 1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
PubChem CID2852267
Molecular FormulaC20H14I2N2O2
Molecular Weight568.15 g/mol
Exact Mass567.91
IUPAC Name1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
SMILESO=C(Nc1ccc(I)cc1)c1ccccc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C20H14I2N2O2/c21-13-5-9-15(10-6-13)23-19(25)17-3-1-2-4-18(17)20(26)24-16-11-7-14(22)8-12-16/h1-12H,(H,23,25)(H,24,26)
InChIKeyPNHNSLIWCCFVAR-UHFFFAOYSA-N
XLogP5.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.15
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
CID 3361929
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
2-acetyl-N-(4-hydroxyphenyl)benzamide
CID 71011787
N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9139011
sodium 3-iodo-2-[(4-iodophenyl)carbamoyl]benzoate
CID 23714617
2-(phenylcarbamoyl)benzenecarbothioic S-acid
CID 118007964
N-(4-benzoylphenyl)-2-iodobenzamide
CID 1010139

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide (CID 2852267) is 1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide is O=C(Nc1ccc(I)cc1)c1ccccc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide?
The InChIKey is PNHNSLIWCCFVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14I2N2O2/c21-13-5-9-15(10-6-13)23-19(25)17-3-1-2-4-18(17)20(26)24-16-11-7-14(22)8-12-16/h1-12H,(H,23,25)(H,24,26).
What are the key properties of 1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide?
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide has a molecular weight of 568.15 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 2852267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).