(2-iodo-4-methylphenyl)cyanamide

C8H7IN2 — CID 54590722

IUPAC(2-iodo-4-methylphenyl)cyanamide
SMILESCc1ccc(NC#N)c(I)c1
InChIInChI=1S/C8H7IN2/c1-6-2-3-8(11-5-10)7(9)4-6/h2-4,11H,1H3
InChIKeyBCJOYPJJJAKGLK-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.49
Rot. Bonds1

About (2-iodo-4-methylphenyl)cyanamide

(2-iodo-4-methylphenyl)cyanamide (PubChem CID 54590722) has the molecular formula C8H7IN2 and a molecular weight of 258.06 g/mol. Its IUPAC name is (2-iodo-4-methylphenyl)cyanamide.

Molecular Properties

Compound Name(2-iodo-4-methylphenyl)cyanamide
PubChem CID54590722
Molecular FormulaC8H7IN2
Molecular Weight258.06 g/mol
Exact Mass257.97
IUPAC Name(2-iodo-4-methylphenyl)cyanamide
SMILESCc1ccc(NC#N)c(I)c1
InChIInChI=1S/C8H7IN2/c1-6-2-3-8(11-5-10)7(9)4-6/h2-4,11H,1H3
InChIKeyBCJOYPJJJAKGLK-UHFFFAOYSA-N
XLogP2.49
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-iodo-4-methylanilino)methylidene]propanedinitrile
CID 168541260
2-iodo-4-methylbenzonitrile
CID 23395165
4-cyano-N-(2-iodo-4-methylphenyl)benzamide
CID 53308928
ethane;2-iodo-4-methylbenzonitrile
CID 143801639
(2-diazenyl-5-methylphenyl)cyanamide
CID 134239280
(2-iodo-4-methylphenyl)thiourea
CID 44622934
[5-(cyanoamino)-2,4-dimethylphenyl]cyanamide
CID 54248060
1-(2-iodo-4-methylanilino)propan-2-ol
CID 101467766
N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide
CID 532037
ethane;(4-methylphenyl)cyanamide
CID 143199528
4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
CID 531959
5-methyl-2-[(4-methylpiperazin-1-yl)amino]benzonitrile
CID 107927739

Frequently Asked Questions

What is the IUPAC name of (2-iodo-4-methylphenyl)cyanamide?
The IUPAC name of (2-iodo-4-methylphenyl)cyanamide (CID 54590722) is (2-iodo-4-methylphenyl)cyanamide.
What is the SMILES notation for (2-iodo-4-methylphenyl)cyanamide?
The canonical SMILES for (2-iodo-4-methylphenyl)cyanamide is Cc1ccc(NC#N)c(I)c1.
What is the InChIKey of (2-iodo-4-methylphenyl)cyanamide?
The InChIKey is BCJOYPJJJAKGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2/c1-6-2-3-8(11-5-10)7(9)4-6/h2-4,11H,1H3.
What are the key properties of (2-iodo-4-methylphenyl)cyanamide?
(2-iodo-4-methylphenyl)cyanamide has a molecular weight of 258.06 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-4-methylphenyl)cyanamide is sourced from PubChem (CID 54590722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).