9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide

C27H19ClN2O2 — CID 174414136

IUPAC9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(Cl)cc1n2Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C27H19ClN2O2/c28-19-13-14-21-24(15-19)30(23-12-6-11-22(25(21)23)27(29)32)16-18-9-4-5-10-20(18)26(31)17-7-2-1-3-8-17/h1-15H,16H2,(H2,29,32)
InChIKeyMKAQOUMMJXNQOZ-UHFFFAOYSA-N
MW438.91 g/mol
LogP5.83
Rot. Bonds5

About 9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide

9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide (PubChem CID 174414136) has the molecular formula C27H19ClN2O2 and a molecular weight of 438.91 g/mol. Its IUPAC name is 9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide
PubChem CID174414136
Molecular FormulaC27H19ClN2O2
Molecular Weight438.91 g/mol
Exact Mass438.11
IUPAC Name9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(Cl)cc1n2Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C27H19ClN2O2/c28-19-13-14-21-24(15-19)30(23-12-6-11-22(25(21)23)27(29)32)16-18-9-4-5-10-20(18)26(31)17-7-2-1-3-8-17/h1-15H,16H2,(H2,29,32)
InChIKeyMKAQOUMMJXNQOZ-UHFFFAOYSA-N
XLogP5.83
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414775
9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414302
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517
9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417858
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
9-[(2-bromophenyl)methyl]-7-(2,4-dichlorophenyl)carbazole-4-carboxamide
CID 174400340
7-(4-chlorophenyl)-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414665
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417826
9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417531
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174418464
7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174414809

Frequently Asked Questions

What is the IUPAC name of 9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide?
The IUPAC name of 9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide (CID 174414136) is 9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide?
The canonical SMILES for 9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(Cl)cc1n2Cc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide?
The InChIKey is MKAQOUMMJXNQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2O2/c28-19-13-14-21-24(15-19)30(23-12-6-11-22(25(21)23)27(29)32)16-18-9-4-5-10-20(18)26(31)17-7-2-1-3-8-17/h1-15H,16H2,(H2,29,32).
What are the key properties of 9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide?
9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide has a molecular weight of 438.91 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide is sourced from PubChem (CID 174414136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).