4-cyano-N-(2-iodo-4-methylphenyl)benzamide

C15H11IN2O — CID 53308928

IUPAC4-cyano-N-(2-iodo-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C#N)cc2)c(I)c1
InChIInChI=1S/C15H11IN2O/c1-10-2-7-14(13(16)8-10)18-15(19)12-5-3-11(9-17)4-6-12/h2-8H,1H3,(H,18,19)
InChIKeyIQYQHHKIWLQAIO-UHFFFAOYSA-N
MW362.17 g/mol
LogP3.72
Rot. Bonds2

About 4-cyano-N-(2-iodo-4-methylphenyl)benzamide

4-cyano-N-(2-iodo-4-methylphenyl)benzamide (PubChem CID 53308928) has the molecular formula C15H11IN2O and a molecular weight of 362.17 g/mol. Its IUPAC name is 4-cyano-N-(2-iodo-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2-iodo-4-methylphenyl)benzamide
PubChem CID53308928
Molecular FormulaC15H11IN2O
Molecular Weight362.17 g/mol
Exact Mass361.99
IUPAC Name4-cyano-N-(2-iodo-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C#N)cc2)c(I)c1
InChIInChI=1S/C15H11IN2O/c1-10-2-7-14(13(16)8-10)18-15(19)12-5-3-11(9-17)4-6-12/h2-8H,1H3,(H,18,19)
InChIKeyIQYQHHKIWLQAIO-UHFFFAOYSA-N
XLogP3.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 53.72
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

1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049608
4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
CID 531959
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide
CID 104756918
N-(4-cyanophenyl)-3-iodo-4-methylbenzamide
CID 3409554
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide
CID 102979689
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide
CID 104578908
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-iodo-4-methylphenyl)benzamide?
The IUPAC name of 4-cyano-N-(2-iodo-4-methylphenyl)benzamide (CID 53308928) is 4-cyano-N-(2-iodo-4-methylphenyl)benzamide.
What is the SMILES notation for 4-cyano-N-(2-iodo-4-methylphenyl)benzamide?
The canonical SMILES for 4-cyano-N-(2-iodo-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(C#N)cc2)c(I)c1.
What is the InChIKey of 4-cyano-N-(2-iodo-4-methylphenyl)benzamide?
The InChIKey is IQYQHHKIWLQAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O/c1-10-2-7-14(13(16)8-10)18-15(19)12-5-3-11(9-17)4-6-12/h2-8H,1H3,(H,18,19).
What are the key properties of 4-cyano-N-(2-iodo-4-methylphenyl)benzamide?
4-cyano-N-(2-iodo-4-methylphenyl)benzamide has a molecular weight of 362.17 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-iodo-4-methylphenyl)benzamide is sourced from PubChem (CID 53308928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).