9-[(3-bromophenyl)methyl]carbazole-4-carboxamide

C20H15BrN2O — CID 174401032

IUPAC9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccccc1n2Cc1cccc(Br)c1
InChIInChI=1S/C20H15BrN2O/c21-14-6-3-5-13(11-14)12-23-17-9-2-1-7-15(17)19-16(20(22)24)8-4-10-18(19)23/h1-11H,12H2,(H2,22,24)
InChIKeyXJUDOEPARPJDNX-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.70
Rot. Bonds3

About 9-[(3-bromophenyl)methyl]carbazole-4-carboxamide

9-[(3-bromophenyl)methyl]carbazole-4-carboxamide (PubChem CID 174401032) has the molecular formula C20H15BrN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is 9-[(3-bromophenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
PubChem CID174401032
Molecular FormulaC20H15BrN2O
Molecular Weight379.26 g/mol
Exact Mass378.04
IUPAC Name9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccccc1n2Cc1cccc(Br)c1
InChIInChI=1S/C20H15BrN2O/c21-14-6-3-5-13(11-14)12-23-17-9-2-1-7-15(17)19-16(20(22)24)8-4-10-18(19)23/h1-11H,12H2,(H2,22,24)
InChIKeyXJUDOEPARPJDNX-UHFFFAOYSA-N
XLogP4.70
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide
CID 174417549
9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174414833
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178
9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401073
9-[(2,4-dimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423911
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414760
7-(hydroxymethyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174417942
9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
CID 174414814
9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174400319
7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401308
9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730

Frequently Asked Questions

What is the IUPAC name of 9-[(3-bromophenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 9-[(3-bromophenyl)methyl]carbazole-4-carboxamide (CID 174401032) is 9-[(3-bromophenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-bromophenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 9-[(3-bromophenyl)methyl]carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccccc1n2Cc1cccc(Br)c1.
What is the InChIKey of 9-[(3-bromophenyl)methyl]carbazole-4-carboxamide?
The InChIKey is XJUDOEPARPJDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O/c21-14-6-3-5-13(11-14)12-23-17-9-2-1-7-15(17)19-16(20(22)24)8-4-10-18(19)23/h1-11H,12H2,(H2,22,24).
What are the key properties of 9-[(3-bromophenyl)methyl]carbazole-4-carboxamide?
9-[(3-bromophenyl)methyl]carbazole-4-carboxamide has a molecular weight of 379.26 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-bromophenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174401032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).