9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide

C28H22ClN3O2 — CID 174401014

IUPAC9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
SMILESCC(=O)Nc1cccc(Cn2c3cc(-c4ccc(Cl)cc4)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C28H22ClN3O2/c1-17(33)31-22-5-2-4-18(14-22)16-32-25-7-3-6-24(28(30)34)27(25)23-13-10-20(15-26(23)32)19-8-11-21(29)12-9-19/h2-15H,16H2,1H3,(H2,30,34)(H,31,33)
InChIKeyQMFSZTXMYNAMBY-UHFFFAOYSA-N
MW467.96 g/mol
LogP6.22
Rot. Bonds5

About 9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide

9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide (PubChem CID 174401014) has the molecular formula C28H22ClN3O2 and a molecular weight of 467.96 g/mol. Its IUPAC name is 9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
PubChem CID174401014
Molecular FormulaC28H22ClN3O2
Molecular Weight467.96 g/mol
Exact Mass467.14
IUPAC Name9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
SMILESCC(=O)Nc1cccc(Cn2c3cc(-c4ccc(Cl)cc4)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C28H22ClN3O2/c1-17(33)31-22-5-2-4-18(14-22)16-32-25-7-3-6-24(28(30)34)27(25)23-13-10-20(15-26(23)32)19-8-11-21(29)12-9-19/h2-15H,16H2,1H3,(H2,30,34)(H,31,33)
InChIKeyQMFSZTXMYNAMBY-UHFFFAOYSA-N
XLogP6.22
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.96
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174399458
9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414760
9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414749
7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide
CID 174399731
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide
CID 175233520
9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174400395
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417826
9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174400022
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517

Frequently Asked Questions

What is the IUPAC name of 9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide (CID 174401014) is 9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide is CC(=O)Nc1cccc(Cn2c3cc(-c4ccc(Cl)cc4)ccc3c3c(C(N)=O)cccc32)c1.
What is the InChIKey of 9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
The InChIKey is QMFSZTXMYNAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN3O2/c1-17(33)31-22-5-2-4-18(14-22)16-32-25-7-3-6-24(28(30)34)27(25)23-13-10-20(15-26(23)32)19-8-11-21(29)12-9-19/h2-15H,16H2,1H3,(H2,30,34)(H,31,33).
What are the key properties of 9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide has a molecular weight of 467.96 g/mol, XLogP of 6.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide is sourced from PubChem (CID 174401014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).