N-(3-cyanophenyl)-4-iodobenzamide

C14H9IN2O — CID 875242

IUPACN-(3-cyanophenyl)-4-iodobenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C14H9IN2O/c15-12-6-4-11(5-7-12)14(18)17-13-3-1-2-10(8-13)9-16/h1-8H,(H,17,18)
InChIKeyVYBQEDGMQZNWIL-UHFFFAOYSA-N
MW348.14 g/mol
LogP3.42
Rot. Bonds2

About N-(3-cyanophenyl)-4-iodobenzamide

N-(3-cyanophenyl)-4-iodobenzamide (PubChem CID 875242) has the molecular formula C14H9IN2O and a molecular weight of 348.14 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-iodobenzamide
PubChem CID875242
Molecular FormulaC14H9IN2O
Molecular Weight348.14 g/mol
Exact Mass347.98
IUPAC NameN-(3-cyanophenyl)-4-iodobenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C14H9IN2O/c15-12-6-4-11(5-7-12)14(18)17-13-3-1-2-10(8-13)9-16/h1-8H,(H,17,18)
InChIKeyVYBQEDGMQZNWIL-UHFFFAOYSA-N
XLogP3.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-(iodomethyl)benzamide
CID 91264729
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide
CID 17469695
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
CID 11381576
4-amino-N-(3-cyanophenyl)-3-fluorobenzamide
CID 62678530

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-iodobenzamide?
The IUPAC name of N-(3-cyanophenyl)-4-iodobenzamide (CID 875242) is N-(3-cyanophenyl)-4-iodobenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-iodobenzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-iodobenzamide is N#Cc1cccc(NC(=O)c2ccc(I)cc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-iodobenzamide?
The InChIKey is VYBQEDGMQZNWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O/c15-12-6-4-11(5-7-12)14(18)17-13-3-1-2-10(8-13)9-16/h1-8H,(H,17,18).
What are the key properties of N-(3-cyanophenyl)-4-iodobenzamide?
N-(3-cyanophenyl)-4-iodobenzamide has a molecular weight of 348.14 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-iodobenzamide is sourced from PubChem (CID 875242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).