9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide

C25H19BrN2O — CID 174399462

IUPAC9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide
SMILESCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc4ccccc4c3Br)c2c1
InChIInChI=1S/C25H19BrN2O/c1-15-9-12-19-22(13-15)28(21-8-4-7-20(23(19)21)25(27)29)14-17-11-10-16-5-2-3-6-18(16)24(17)26/h2-13H,14H2,1H3,(H2,27,29)
InChIKeyZEXACRVZXVARDC-UHFFFAOYSA-N
MW443.34 g/mol
LogP6.17
Rot. Bonds3

About 9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide

9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide (PubChem CID 174399462) has the molecular formula C25H19BrN2O and a molecular weight of 443.34 g/mol. Its IUPAC name is 9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide
PubChem CID174399462
Molecular FormulaC25H19BrN2O
Molecular Weight443.34 g/mol
Exact Mass442.07
IUPAC Name9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide
SMILESCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc4ccccc4c3Br)c2c1
InChIInChI=1S/C25H19BrN2O/c1-15-9-12-19-22(13-15)28(21-8-4-7-20(23(19)21)25(27)29)14-17-11-10-16-5-2-3-6-18(16)24(17)26/h2-13H,14H2,1H3,(H2,27,29)
InChIKeyZEXACRVZXVARDC-UHFFFAOYSA-N
XLogP6.17
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.34
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(2,4-dimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423911
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174401716
9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 175235829
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285
9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174414828
9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730
7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401308
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174440690
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042

Frequently Asked Questions

What is the IUPAC name of 9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide?
The IUPAC name of 9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide (CID 174399462) is 9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide is Cc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc4ccccc4c3Br)c2c1.
What is the InChIKey of 9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide?
The InChIKey is ZEXACRVZXVARDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN2O/c1-15-9-12-19-22(13-15)28(21-8-4-7-20(23(19)21)25(27)29)14-17-11-10-16-5-2-3-6-18(16)24(17)26/h2-13H,14H2,1H3,(H2,27,29).
What are the key properties of 9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide?
9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide has a molecular weight of 443.34 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide is sourced from PubChem (CID 174399462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).