N,N'-bis(4-iodophenyl)butanediamide

C16H14I2N2O2 — CID 4250378

IUPACN,N'-bis(4-iodophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccc(I)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C16H14I2N2O2/c17-11-1-5-13(6-2-11)19-15(21)9-10-16(22)20-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyZKVLECLWXGBQOF-UHFFFAOYSA-N
MW520.11 g/mol
LogP4.25
Rot. Bonds5

About N,N'-bis(4-iodophenyl)butanediamide

N,N'-bis(4-iodophenyl)butanediamide (PubChem CID 4250378) has the molecular formula C16H14I2N2O2 and a molecular weight of 520.11 g/mol. Its IUPAC name is N,N'-bis(4-iodophenyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(4-iodophenyl)butanediamide
PubChem CID4250378
Molecular FormulaC16H14I2N2O2
Molecular Weight520.11 g/mol
Exact Mass519.91
IUPAC NameN,N'-bis(4-iodophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccc(I)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C16H14I2N2O2/c17-11-1-5-13(6-2-11)19-15(21)9-10-16(22)20-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyZKVLECLWXGBQOF-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.11
LogP ≤ 54.25
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

N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
3-[3-(4-iodoanilino)-3-oxopropyl]sulfanyl-N-(4-iodophenyl)propanamide
CID 4079890
3-(2-hydroxyphenyl)-N-(4-iodophenyl)propanamide
CID 29404443
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
N-(4-iodophenyl)but-3-enamide
CID 60651848
5-(carbamoylamino)-N-(4-iodophenyl)pentanamide
CID 29404469
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
2-acetamido-N-(4-iodophenyl)acetamide
CID 60636455
N-(4-iodophenyl)-2-methylsulfonylacetamide
CID 47207302
N-(4-iodophenyl)acetamide
CID 12147
N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide
CID 6998543

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-iodophenyl)butanediamide?
The IUPAC name of N,N'-bis(4-iodophenyl)butanediamide (CID 4250378) is N,N'-bis(4-iodophenyl)butanediamide.
What is the SMILES notation for N,N'-bis(4-iodophenyl)butanediamide?
The canonical SMILES for N,N'-bis(4-iodophenyl)butanediamide is O=C(CCC(=O)Nc1ccc(I)cc1)Nc1ccc(I)cc1.
What is the InChIKey of N,N'-bis(4-iodophenyl)butanediamide?
The InChIKey is ZKVLECLWXGBQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14I2N2O2/c17-11-1-5-13(6-2-11)19-15(21)9-10-16(22)20-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N,N'-bis(4-iodophenyl)butanediamide?
N,N'-bis(4-iodophenyl)butanediamide has a molecular weight of 520.11 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-iodophenyl)butanediamide is sourced from PubChem (CID 4250378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).