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

C21H24I2N2O2 — CID 4507998

IUPACN,N'-bis(4-iodophenyl)nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1ccc(I)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C21H24I2N2O2/c22-16-8-12-18(13-9-16)24-20(26)6-4-2-1-3-5-7-21(27)25-19-14-10-17(23)11-15-19/h8-15H,1-7H2,(H,24,26)(H,25,27)
InChIKeySHPQXOKQVFFCEX-UHFFFAOYSA-N
MW590.24 g/mol
LogP6.20
Rot. Bonds10

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

N,N'-bis(4-iodophenyl)nonanediamide (PubChem CID 4507998) has the molecular formula C21H24I2N2O2 and a molecular weight of 590.24 g/mol. Its IUPAC name is N,N'-bis(4-iodophenyl)nonanediamide.

Molecular Properties

Compound NameN,N'-bis(4-iodophenyl)nonanediamide
PubChem CID4507998
Molecular FormulaC21H24I2N2O2
Molecular Weight590.24 g/mol
Exact Mass589.99
IUPAC NameN,N'-bis(4-iodophenyl)nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1ccc(I)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C21H24I2N2O2/c22-16-8-12-18(13-9-16)24-20(26)6-4-2-1-3-5-7-21(27)25-19-14-10-17(23)11-15-19/h8-15H,1-7H2,(H,24,26)(H,25,27)
InChIKeySHPQXOKQVFFCEX-UHFFFAOYSA-N
XLogP6.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.24
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
5-(carbamoylamino)-N-(4-iodophenyl)pentanamide
CID 29404469
3-[3-(4-iodoanilino)-3-oxopropyl]sulfanyl-N-(4-iodophenyl)propanamide
CID 4079890
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
CID 3310554
N-(4-iodophenyl)but-3-enamide
CID 60651848
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-iodophenyl)nonanediamide?
The IUPAC name of N,N'-bis(4-iodophenyl)nonanediamide (CID 4507998) is N,N'-bis(4-iodophenyl)nonanediamide.
What is the SMILES notation for N,N'-bis(4-iodophenyl)nonanediamide?
The canonical SMILES for N,N'-bis(4-iodophenyl)nonanediamide is O=C(CCCCCCCC(=O)Nc1ccc(I)cc1)Nc1ccc(I)cc1.
What is the InChIKey of N,N'-bis(4-iodophenyl)nonanediamide?
The InChIKey is SHPQXOKQVFFCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24I2N2O2/c22-16-8-12-18(13-9-16)24-20(26)6-4-2-1-3-5-7-21(27)25-19-14-10-17(23)11-15-19/h8-15H,1-7H2,(H,24,26)(H,25,27).
What are the key properties of N,N'-bis(4-iodophenyl)nonanediamide?
N,N'-bis(4-iodophenyl)nonanediamide has a molecular weight of 590.24 g/mol, XLogP of 6.20, 10 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)nonanediamide is sourced from PubChem (CID 4507998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).