N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide

C16H12IN3O2 — CID 138582542

IUPACN-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
SMILESN#Cc1ccc(NC(=O)CC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C16H12IN3O2/c17-12-3-7-14(8-4-12)20-16(22)9-15(21)19-13-5-1-11(10-18)2-6-13/h1-8H,9H2,(H,19,21)(H,20,22)
InChIKeyQDDZIXUGYHGIJC-UHFFFAOYSA-N
MW405.20 g/mol
LogP3.13
Rot. Bonds4

About N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide

N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide (PubChem CID 138582542) has the molecular formula C16H12IN3O2 and a molecular weight of 405.20 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
PubChem CID138582542
Molecular FormulaC16H12IN3O2
Molecular Weight405.20 g/mol
Exact Mass405.00
IUPAC NameN-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
SMILESN#Cc1ccc(NC(=O)CC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C16H12IN3O2/c17-12-3-7-14(8-4-12)20-16(22)9-15(21)19-13-5-1-11(10-18)2-6-13/h1-8H,9H2,(H,19,21)(H,20,22)
InChIKeyQDDZIXUGYHGIJC-UHFFFAOYSA-N
XLogP3.13
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
[2-(4-iodoanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2592615
N-(4-cyanophenyl)-N'-propan-2-ylpropanediamide
CID 108940955
N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen
CID 142563467
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide
CID 138582546
N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide
CID 138582531
(2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide
CID 7492581
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
4-(4-iodoanilino)benzonitrile
CID 28976683
N'-(3-chloro-4-methylphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955295

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide (CID 138582542) is N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide is N#Cc1ccc(NC(=O)CC(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide?
The InChIKey is QDDZIXUGYHGIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN3O2/c17-12-3-7-14(8-4-12)20-16(22)9-15(21)19-13-5-1-11(10-18)2-6-13/h1-8H,9H2,(H,19,21)(H,20,22).
What are the key properties of N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide?
N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide has a molecular weight of 405.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide is sourced from PubChem (CID 138582542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).