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

C25H19N3O3 — CID 174414282

IUPAC9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESNC(=O)c1ccc(Cn2c3cc(-c4ccco4)ccc3c3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C25H19N3O3/c26-24(29)16-8-6-15(7-9-16)14-28-20-4-1-3-19(25(27)30)23(20)18-11-10-17(13-21(18)28)22-5-2-12-31-22/h1-13H,14H2,(H2,26,29)(H2,27,30)
InChIKeyPFTCQFSPWMUJGI-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.30
Rot. Bonds5

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

9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide (PubChem CID 174414282) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
PubChem CID174414282
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESNC(=O)c1ccc(Cn2c3cc(-c4ccco4)ccc3c3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C25H19N3O3/c26-24(29)16-8-6-15(7-9-16)14-28-20-4-1-3-19(25(27)30)23(20)18-11-10-17(13-21(18)28)22-5-2-12-31-22/h1-13H,14H2,(H2,26,29)(H2,27,30)
InChIKeyPFTCQFSPWMUJGI-UHFFFAOYSA-N
XLogP4.30
TPSA104.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174418424
9-[(2,6-dichlorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174440701
9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174399458
7-(furan-2-yl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414539
9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174400022
9-[(4-bromo-2-fluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174414316
7-(furan-2-yl)-9-[(2-methylnaphthalen-1-yl)methyl]carbazole-4-carboxamide
CID 174414734
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-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048

Frequently Asked Questions

What is the IUPAC name of 9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The IUPAC name of 9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide (CID 174414282) is 9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide is NC(=O)c1ccc(Cn2c3cc(-c4ccco4)ccc3c3c(C(N)=O)cccc32)cc1.
What is the InChIKey of 9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The InChIKey is PFTCQFSPWMUJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c26-24(29)16-8-6-15(7-9-16)14-28-20-4-1-3-19(25(27)30)23(20)18-11-10-17(13-21(18)28)22-5-2-12-31-22/h1-13H,14H2,(H2,26,29)(H2,27,30).
What are the key properties of 9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide is sourced from PubChem (CID 174414282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).