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

C23H21N3O2 — CID 174414730

IUPAC9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
SMILESCC(=O)Nc1cccc(Cn2c3cc(C)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C23H21N3O2/c1-14-9-10-18-21(11-14)26(20-8-4-7-19(22(18)20)23(24)28)13-16-5-3-6-17(12-16)25-15(2)27/h3-12H,13H2,1-2H3,(H2,24,28)(H,25,27)
InChIKeyFLPMGBOJAFDSCI-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.21
Rot. Bonds4

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

9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide (PubChem CID 174414730) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
PubChem CID174414730
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
SMILESCC(=O)Nc1cccc(Cn2c3cc(C)ccc3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C23H21N3O2/c1-14-9-10-18-21(11-14)26(20-8-4-7-19(22(18)20)23(24)28)13-16-5-3-6-17(12-16)25-15(2)27/h3-12H,13H2,1-2H3,(H2,24,28)(H,25,27)
InChIKeyFLPMGBOJAFDSCI-UHFFFAOYSA-N
XLogP4.21
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174401014
7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401308
9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174399458
9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174401373
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285
3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide
CID 174639472
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414749
7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174401716
7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide
CID 175233520

Frequently Asked Questions

What is the IUPAC name of 9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide?
The IUPAC name of 9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide (CID 174414730) is 9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide is CC(=O)Nc1cccc(Cn2c3cc(C)ccc3c3c(C(N)=O)cccc32)c1.
What is the InChIKey of 9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide?
The InChIKey is FLPMGBOJAFDSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-14-9-10-18-21(11-14)26(20-8-4-7-19(22(18)20)23(24)28)13-16-5-3-6-17(12-16)25-15(2)27/h3-12H,13H2,1-2H3,(H2,24,28)(H,25,27).
What are the key properties of 9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide?
9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.21, 4 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-methylcarbazole-4-carboxamide is sourced from PubChem (CID 174414730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).