3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide

C15H7ClIN3O — CID 103738054

IUPAC3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1C#N
InChIInChI=1S/C15H7ClIN3O/c16-13-6-9(2-4-14(13)17)15(21)20-12-3-1-10(7-18)11(5-12)8-19/h1-6H,(H,20,21)
InChIKeyROJZEKPLAPRNNX-UHFFFAOYSA-N
MW407.60 g/mol
LogP3.94
Rot. Bonds2

About 3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide

3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide (PubChem CID 103738054) has the molecular formula C15H7ClIN3O and a molecular weight of 407.60 g/mol. Its IUPAC name is 3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
PubChem CID103738054
Molecular FormulaC15H7ClIN3O
Molecular Weight407.60 g/mol
Exact Mass406.93
IUPAC Name3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1C#N
InChIInChI=1S/C15H7ClIN3O/c16-13-6-9(2-4-14(13)17)15(21)20-12-3-1-10(7-18)11(5-12)8-19/h1-6H,(H,20,21)
InChIKeyROJZEKPLAPRNNX-UHFFFAOYSA-N
XLogP3.94
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765
4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 81308168
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
CID 103220953
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide
CID 103944403
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
CID 103218699
3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide
CID 103222262
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide (CID 103738054) is 3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide is N#Cc1ccc(NC(=O)c2ccc(I)c(Cl)c2)cc1C#N.
What is the InChIKey of 3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide?
The InChIKey is ROJZEKPLAPRNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClIN3O/c16-13-6-9(2-4-14(13)17)15(21)20-12-3-1-10(7-18)11(5-12)8-19/h1-6H,(H,20,21).
What are the key properties of 3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide?
3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide has a molecular weight of 407.60 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide is sourced from PubChem (CID 103738054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).