7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide

C21H17IN2O2 — CID 174400343

IUPAC7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(CO)cc1n2Cc1ccccc1I
InChIInChI=1S/C21H17IN2O2/c22-17-6-2-1-4-14(17)11-24-18-7-3-5-16(21(23)26)20(18)15-9-8-13(12-25)10-19(15)24/h1-10,25H,11-12H2,(H2,23,26)
InChIKeyKQOYBORIBYWOKQ-UHFFFAOYSA-N
MW456.28 g/mol
LogP4.04
Rot. Bonds4

About 7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide

7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide (PubChem CID 174400343) has the molecular formula C21H17IN2O2 and a molecular weight of 456.28 g/mol. Its IUPAC name is 7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
PubChem CID174400343
Molecular FormulaC21H17IN2O2
Molecular Weight456.28 g/mol
Exact Mass456.03
IUPAC Name7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(CO)cc1n2Cc1ccccc1I
InChIInChI=1S/C21H17IN2O2/c22-17-6-2-1-4-14(17)11-24-18-7-3-5-16(21(23)26)20(18)15-9-8-13(12-25)10-19(15)24/h1-10,25H,11-12H2,(H2,23,26)
InChIKeyKQOYBORIBYWOKQ-UHFFFAOYSA-N
XLogP4.04
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.28
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417531
7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414775
7-(hydroxymethyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174417942
7-(2,6-dichlorophenyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174440765
9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417858
7-(furan-2-yl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414539
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 174418413
9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417543
9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 175235943
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414256

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide (CID 174400343) is 7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(CO)cc1n2Cc1ccccc1I.
What is the InChIKey of 7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide?
The InChIKey is KQOYBORIBYWOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17IN2O2/c22-17-6-2-1-4-14(17)11-24-18-7-3-5-16(21(23)26)20(18)15-9-8-13(12-25)10-19(15)24/h1-10,25H,11-12H2,(H2,23,26).
What are the key properties of 7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide?
7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide has a molecular weight of 456.28 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174400343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).