9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide

C26H21N3O3 — CID 174399458

IUPAC9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESCC(=O)Nc1cccc(Cn2c3cc(-c4ccco4)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C26H21N3O3/c1-16(30)28-19-6-2-5-17(13-19)15-29-22-8-3-7-21(26(27)31)25(22)20-11-10-18(14-23(20)29)24-9-4-12-32-24/h2-14H,15H2,1H3,(H2,27,31)(H,28,30)
InChIKeyAMXKLKPINMSITD-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.16
Rot. Bonds5

About 9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide

9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide (PubChem CID 174399458) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is 9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
PubChem CID174399458
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESCC(=O)Nc1cccc(Cn2c3cc(-c4ccco4)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C26H21N3O3/c1-16(30)28-19-6-2-5-17(13-19)15-29-22-8-3-7-21(26(27)31)25(22)20-11-10-18(14-23(20)29)24-9-4-12-32-24/h2-14H,15H2,1H3,(H2,27,31)(H,28,30)
InChIKeyAMXKLKPINMSITD-UHFFFAOYSA-N
XLogP5.16
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174414282
9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174401014
9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174418424
9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730
9-[(2,6-dichlorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174440701
7-(furan-2-yl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414539
7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
CID 174414734
9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174414316
9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414749
9-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174399783
2-[9-benzyl-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]-2-oxoacetic acid
CID 54308159
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283

Frequently Asked Questions

What is the IUPAC name of 9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The IUPAC name of 9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide (CID 174399458) is 9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide is CC(=O)Nc1cccc(Cn2c3cc(-c4ccco4)ccc3c3c(C(N)=O)cccc32)c1.
What is the InChIKey of 9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The InChIKey is AMXKLKPINMSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-16(30)28-19-6-2-5-17(13-19)15-29-22-8-3-7-21(26(27)31)25(22)20-11-10-18(14-23(20)29)24-9-4-12-32-24/h2-14H,15H2,1H3,(H2,27,31)(H,28,30).
What are the key properties of 9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide is sourced from PubChem (CID 174399458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).