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

C28H22N2O3 — CID 174417858

IUPAC9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(CO)cc1n2Cc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H22N2O3/c29-28(33)23-7-4-8-24-26(23)22-14-11-19(17-31)15-25(22)30(24)16-18-9-12-21(13-10-18)27(32)20-5-2-1-3-6-20/h1-15,31H,16-17H2,(H2,29,33)
InChIKeyXZCZMWJZDWXAHS-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.66
Rot. Bonds6

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

9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide (PubChem CID 174417858) has the molecular formula C28H22N2O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
PubChem CID174417858
Molecular FormulaC28H22N2O3
Molecular Weight434.50 g/mol
Exact Mass434.16
IUPAC Name9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(CO)cc1n2Cc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H22N2O3/c29-28(33)23-7-4-8-24-26(23)22-14-11-19(17-31)15-25(22)30(24)16-18-9-12-21(13-10-18)27(32)20-5-2-1-3-6-20/h1-15,31H,16-17H2,(H2,29,33)
InChIKeyXZCZMWJZDWXAHS-UHFFFAOYSA-N
XLogP4.66
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
CID 175235689
9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417531
7-(hydroxymethyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174417942
9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 175235943
9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417543
7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174400343
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide
CID 174414136
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
CID 174414642
7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362

Frequently Asked Questions

What is the IUPAC name of 9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide (CID 174417858) is 9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(CO)cc1n2Cc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
The InChIKey is XZCZMWJZDWXAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O3/c29-28(33)23-7-4-8-24-26(23)22-14-11-19(17-31)15-25(22)30(24)16-18-9-12-21(13-10-18)27(32)20-5-2-1-3-6-20/h1-15,31H,16-17H2,(H2,29,33).
What are the key properties of 9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174417858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).