9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide

C31H28N2O2 — CID 175235689

IUPAC9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
SMILESCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(C(=O)c4ccccc4)cc3)c2c1
InChIInChI=1S/C31H28N2O2/c1-2-3-8-21-15-18-25-28(19-21)33(27-12-7-11-26(29(25)27)31(32)35)20-22-13-16-24(17-14-22)30(34)23-9-5-4-6-10-23/h4-7,9-19H,2-3,8,20H2,1H3,(H2,32,35)
InChIKeyYIZNLZYSUGTAPU-UHFFFAOYSA-N
MW460.58 g/mol
LogP6.52
Rot. Bonds8

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

9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide (PubChem CID 175235689) has the molecular formula C31H28N2O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
PubChem CID175235689
Molecular FormulaC31H28N2O2
Molecular Weight460.58 g/mol
Exact Mass460.22
IUPAC Name9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
SMILESCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(C(=O)c4ccccc4)cc3)c2c1
InChIInChI=1S/C31H28N2O2/c1-2-3-8-21-15-18-25-28(19-21)33(27-12-7-11-26(29(25)27)31(32)35)20-22-13-16-24(17-14-22)30(34)23-9-5-4-6-10-23/h4-7,9-19H,2-3,8,20H2,1H3,(H2,32,35)
InChIKeyYIZNLZYSUGTAPU-UHFFFAOYSA-N
XLogP6.52
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417858
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417636
9-[(4-methylsulfonylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417959
7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174400416
7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 174400322
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174414828
9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 175235910
7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide
CID 174401378
9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 175233543
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697

Frequently Asked Questions

What is the IUPAC name of 9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide?
The IUPAC name of 9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide (CID 175235689) is 9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide is CCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(C(=O)c4ccccc4)cc3)c2c1.
What is the InChIKey of 9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide?
The InChIKey is YIZNLZYSUGTAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O2/c1-2-3-8-21-15-18-25-28(19-21)33(27-12-7-11-26(29(25)27)31(32)35)20-22-13-16-24(17-14-22)30(34)23-9-5-4-6-10-23/h4-7,9-19H,2-3,8,20H2,1H3,(H2,32,35).
What are the key properties of 9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide?
9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 6.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide is sourced from PubChem (CID 175235689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).