N-(4-cyanophenyl)-3-iodo-4-methylbenzamide

C15H11IN2O — CID 3409554

IUPACN-(4-cyanophenyl)-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1I
InChIInChI=1S/C15H11IN2O/c1-10-2-5-12(8-14(10)16)15(19)18-13-6-3-11(9-17)4-7-13/h2-8H,1H3,(H,18,19)
InChIKeyZDGZLOTZXPXFQZ-UHFFFAOYSA-N
MW362.17 g/mol
LogP3.72
Rot. Bonds2

About N-(4-cyanophenyl)-3-iodo-4-methylbenzamide

N-(4-cyanophenyl)-3-iodo-4-methylbenzamide (PubChem CID 3409554) has the molecular formula C15H11IN2O and a molecular weight of 362.17 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-iodo-4-methylbenzamide
PubChem CID3409554
Molecular FormulaC15H11IN2O
Molecular Weight362.17 g/mol
Exact Mass361.99
IUPAC NameN-(4-cyanophenyl)-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1I
InChIInChI=1S/C15H11IN2O/c1-10-2-5-12(8-14(10)16)15(19)18-13-6-3-11(9-17)4-7-13/h2-8H,1H3,(H,18,19)
InChIKeyZDGZLOTZXPXFQZ-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

N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
4-N-(3-chloro-4-methylphenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050028
4-cyano-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64792528
1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049608
3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 163720510
5-[(4-cyanobenzoyl)amino]-2-methylbenzoyl chloride
CID 22667774
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167470
N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28587698
4-cyano-N-(2-iodo-4-methylphenyl)benzamide
CID 53308928

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-iodo-4-methylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-3-iodo-4-methylbenzamide (CID 3409554) is N-(4-cyanophenyl)-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-iodo-4-methylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-3-iodo-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1I.
What is the InChIKey of N-(4-cyanophenyl)-3-iodo-4-methylbenzamide?
The InChIKey is ZDGZLOTZXPXFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O/c1-10-2-5-12(8-14(10)16)15(19)18-13-6-3-11(9-17)4-7-13/h2-8H,1H3,(H,18,19).
What are the key properties of N-(4-cyanophenyl)-3-iodo-4-methylbenzamide?
N-(4-cyanophenyl)-3-iodo-4-methylbenzamide 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 N-(4-cyanophenyl)-3-iodo-4-methylbenzamide is sourced from PubChem (CID 3409554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).