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

C25H19ClN2O2 — CID 174418424

IUPAC9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESCc1ccc(Cn2c3cc(-c4ccco4)ccc3c3c(C(N)=O)cccc32)cc1Cl
InChIInChI=1S/C25H19ClN2O2/c1-15-7-8-16(12-20(15)26)14-28-21-5-2-4-19(25(27)29)24(21)18-10-9-17(13-22(18)28)23-6-3-11-30-23/h2-13H,14H2,1H3,(H2,27,29)
InChIKeyFKKOYAITBRBWRL-UHFFFAOYSA-N
MW414.89 g/mol
LogP6.16
Rot. Bonds4

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

9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide (PubChem CID 174418424) has the molecular formula C25H19ClN2O2 and a molecular weight of 414.89 g/mol. Its IUPAC name is 9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
PubChem CID174418424
Molecular FormulaC25H19ClN2O2
Molecular Weight414.89 g/mol
Exact Mass414.11
IUPAC Name9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESCc1ccc(Cn2c3cc(-c4ccco4)ccc3c3c(C(N)=O)cccc32)cc1Cl
InChIInChI=1S/C25H19ClN2O2/c1-15-7-8-16(12-20(15)26)14-28-21-5-2-4-19(25(27)29)24(21)18-10-9-17(13-22(18)28)23-6-3-11-30-23/h2-13H,14H2,1H3,(H2,27,29)
InChIKeyFKKOYAITBRBWRL-UHFFFAOYSA-N
XLogP6.16
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174414282
9-[(2,6-dichlorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174440701
9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 175235943
9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174399458
9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174414833
7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
CID 174414734
7-(furan-2-yl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414539
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174414316
9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174401344
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
2-[9-benzyl-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]-2-oxoacetic acid
CID 54308159

Frequently Asked Questions

What is the IUPAC name of 9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The IUPAC name of 9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide (CID 174418424) is 9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide is Cc1ccc(Cn2c3cc(-c4ccco4)ccc3c3c(C(N)=O)cccc32)cc1Cl.
What is the InChIKey of 9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The InChIKey is FKKOYAITBRBWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O2/c1-15-7-8-16(12-20(15)26)14-28-21-5-2-4-19(25(27)29)24(21)18-10-9-17(13-22(18)28)23-6-3-11-30-23/h2-13H,14H2,1H3,(H2,27,29).
What are the key properties of 9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide is sourced from PubChem (CID 174418424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).