N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide

C20H14ClIN4O — CID 1336482

IUPACN-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide
SMILESCc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccccc1I
InChIInChI=1S/C20H14ClIN4O/c1-12-10-18-19(25-26(24-18)14-8-6-13(21)7-9-14)11-17(12)23-20(27)15-4-2-3-5-16(15)22/h2-11H,1H3,(H,23,27)
InChIKeyZMNFVHAOGUZIJG-UHFFFAOYSA-N
MW488.72 g/mol
LogP5.24
Rot. Bonds3

About N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide

N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide (PubChem CID 1336482) has the molecular formula C20H14ClIN4O and a molecular weight of 488.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide
PubChem CID1336482
Molecular FormulaC20H14ClIN4O
Molecular Weight488.72 g/mol
Exact Mass487.99
IUPAC NameN-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide
SMILESCc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccccc1I
InChIInChI=1S/C20H14ClIN4O/c1-12-10-18-19(25-26(24-18)14-8-6-13(21)7-9-14)11-17(12)23-20(27)15-4-2-3-5-16(15)22/h2-11H,1H3,(H,23,27)
InChIKeyZMNFVHAOGUZIJG-UHFFFAOYSA-N
XLogP5.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.72
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 1370817
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-2-iodobenzamide
CID 21167882
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethylbenzamide
CID 19630185
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-2-methylbenzamide
CID 2957047
2-chloro-5-iodo-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1345445
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308402
5-bromo-N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide
CID 17314343
3-chloro-4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1333387
2-iodo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220026
2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 1278555
3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide
CID 1345807
2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 1493062

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide (CID 1336482) is N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide is Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccccc1I.
What is the InChIKey of N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide?
The InChIKey is ZMNFVHAOGUZIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClIN4O/c1-12-10-18-19(25-26(24-18)14-8-6-13(21)7-9-14)11-17(12)23-20(27)15-4-2-3-5-16(15)22/h2-11H,1H3,(H,23,27).
What are the key properties of N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide?
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide has a molecular weight of 488.72 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide is sourced from PubChem (CID 1336482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).