9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide

C27H19ClN2O2 — CID 174414642

IUPAC9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(Cl)c1n2Cc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C27H19ClN2O2/c28-22-13-5-11-20-24-21(27(29)32)12-6-14-23(24)30(25(20)22)16-17-7-4-10-19(15-17)26(31)18-8-2-1-3-9-18/h1-15H,16H2,(H2,29,32)
InChIKeyFKEVKLVVNVVVFO-UHFFFAOYSA-N
MW438.91 g/mol
LogP5.83
Rot. Bonds5

About 9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide

9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide (PubChem CID 174414642) has the molecular formula C27H19ClN2O2 and a molecular weight of 438.91 g/mol. Its IUPAC name is 9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
PubChem CID174414642
Molecular FormulaC27H19ClN2O2
Molecular Weight438.91 g/mol
Exact Mass438.11
IUPAC Name9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(Cl)c1n2Cc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C27H19ClN2O2/c28-22-13-5-11-20-24-21(27(29)32)12-6-14-23(24)30(25(20)22)16-17-7-4-10-19(15-17)26(31)18-8-2-1-3-9-18/h1-15H,16H2,(H2,29,32)
InChIKeyFKEVKLVVNVVVFO-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

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Related Compounds

9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
CID 174414814
8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414627
9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417858
9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174414833
8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174440705
9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174440659
9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
CID 174401032
9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
CID 175235689
9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174417772
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide
CID 174414136
7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414314

Frequently Asked Questions

What is the IUPAC name of 9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide?
The IUPAC name of 9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide (CID 174414642) is 9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide?
The canonical SMILES for 9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide is NC(=O)c1cccc2c1c1cccc(Cl)c1n2Cc1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide?
The InChIKey is FKEVKLVVNVVVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2O2/c28-22-13-5-11-20-24-21(27(29)32)12-6-14-23(24)30(25(20)22)16-17-7-4-10-19(15-17)26(31)18-8-2-1-3-9-18/h1-15H,16H2,(H2,29,32).
What are the key properties of 9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide?
9-[(3-benzoylphenyl)methyl]-8-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-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide is sourced from PubChem (CID 174414642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).