4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide

C20H14I2N2O3 — CID 86118799

IUPAC4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc(O)c(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C20H14I2N2O3/c21-13-2-6-15(7-3-13)23-19(26)12-1-10-18(25)17(11-12)20(27)24-16-8-4-14(22)5-9-16/h1-11,25H,(H,23,26)(H,24,27)
InChIKeyJJAXJOMCKYMZMX-UHFFFAOYSA-N
MW584.15 g/mol
LogP5.11
Rot. Bonds4

About 4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide

4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide (PubChem CID 86118799) has the molecular formula C20H14I2N2O3 and a molecular weight of 584.15 g/mol. Its IUPAC name is 4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide
PubChem CID86118799
Molecular FormulaC20H14I2N2O3
Molecular Weight584.15 g/mol
Exact Mass583.91
IUPAC Name4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc(O)c(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C20H14I2N2O3/c21-13-2-6-15(7-3-13)23-19(26)12-1-10-18(25)17(11-12)20(27)24-16-8-4-14(22)5-9-16/h1-11,25H,(H,23,26)(H,24,27)
InChIKeyJJAXJOMCKYMZMX-UHFFFAOYSA-N
XLogP5.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.15
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731512
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
3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide
CID 104629586
2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid
CID 28667790
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide
CID 64792908
2-hydroxy-5-iodo-N-naphthalen-2-ylbenzamide
CID 103602016
N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide
CID 34273440
3,5-difluoro-N-(4-iodophenyl)benzamide
CID 3874548
2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide
CID 3448469
N-(4-iodophenyl)-3-sulfanylbenzamide
CID 107022116

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide (CID 86118799) is 4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide is O=C(Nc1ccc(I)cc1)c1ccc(O)c(C(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of 4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide?
The InChIKey is JJAXJOMCKYMZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14I2N2O3/c21-13-2-6-15(7-3-13)23-19(26)12-1-10-18(25)17(11-12)20(27)24-16-8-4-14(22)5-9-16/h1-11,25H,(H,23,26)(H,24,27).
What are the key properties of 4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide?
4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide has a molecular weight of 584.15 g/mol, XLogP of 5.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 86118799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).