2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide

C20H15IN4O2 — CID 1493062

IUPAC2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4ccccc4I)cc3n2)cc1
InChIInChI=1S/C20H15IN4O2/c1-27-15-9-7-14(8-10-15)25-23-18-11-6-13(12-19(18)24-25)22-20(26)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,22,26)
InChIKeyBKUGXSZNSQJJGI-UHFFFAOYSA-N
MW470.27 g/mol
LogP4.29
Rot. Bonds4

About 2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide

2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide (PubChem CID 1493062) has the molecular formula C20H15IN4O2 and a molecular weight of 470.27 g/mol. Its IUPAC name is 2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
PubChem CID1493062
Molecular FormulaC20H15IN4O2
Molecular Weight470.27 g/mol
Exact Mass470.02
IUPAC Name2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4ccccc4I)cc3n2)cc1
InChIInChI=1S/C20H15IN4O2/c1-27-15-9-7-14(8-10-15)25-23-18-11-6-13(12-19(18)24-25)22-20(26)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,22,26)
InChIKeyBKUGXSZNSQJJGI-UHFFFAOYSA-N
XLogP4.29
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.27
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
2-iodo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220026
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17274693
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide
CID 1141365
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-iodobenzamide
CID 1016818
N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide
CID 1216166
2-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-5-nitrobenzamide
CID 5217163
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-3-(2-oxochromen-3-yl)benzamide
CID 2003866
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,4-dimethoxybenzamide
CID 17027052

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide (CID 1493062) is 2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide is COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4I)cc3n2)cc1.
What is the InChIKey of 2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is BKUGXSZNSQJJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15IN4O2/c1-27-15-9-7-14(8-10-15)25-23-18-11-6-13(12-19(18)24-25)22-20(26)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,22,26).
What are the key properties of 2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 470.27 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 1493062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).