9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide

C23H21N3O2 — CID 174418283

IUPAC9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(C(N)=O)c3)c2c1
InChIInChI=1S/C23H21N3O2/c1-2-14-9-10-17-20(12-14)26(13-15-5-3-6-16(11-15)22(24)27)19-8-4-7-18(21(17)19)23(25)28/h3-12H,2,13H2,1H3,(H2,24,27)(H2,25,28)
InChIKeyORFRJBDOOOHXND-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.60
Rot. Bonds5

About 9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide

9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide (PubChem CID 174418283) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
PubChem CID174418283
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(C(N)=O)c3)c2c1
InChIInChI=1S/C23H21N3O2/c1-2-14-9-10-17-20(12-14)26(13-15-5-3-6-16(11-15)22(24)27)19-8-4-7-18(21(17)19)23(25)28/h3-12H,2,13H2,1H3,(H2,24,27)(H2,25,28)
InChIKeyORFRJBDOOOHXND-UHFFFAOYSA-N
XLogP3.60
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697
7-ethyl-9-(furan-3-ylmethyl)carbazole-4-carboxamide
CID 174414739
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414795
7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 174418413
9-(cyclopropylmethyl)-7-ethylcarbazole-4-carboxamide
CID 174418330
7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414256
7-(hydroxymethyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174417942
9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
CID 175235689
9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417858
9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730

Frequently Asked Questions

What is the IUPAC name of 9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide?
The IUPAC name of 9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide (CID 174418283) is 9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide is CCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc(C(N)=O)c3)c2c1.
What is the InChIKey of 9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide?
The InChIKey is ORFRJBDOOOHXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-14-9-10-17-20(12-14)26(13-15-5-3-6-16(11-15)22(24)27)19-8-4-7-18(21(17)19)23(25)28/h3-12H,2,13H2,1H3,(H2,24,27)(H2,25,28).
What are the key properties of 9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide?
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide is sourced from PubChem (CID 174418283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).