2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide

C20H19BrN2O2 — CID 113097039

IUPAC2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccccc1Br)CC3
InChIInChI=1S/C20H19BrN2O2/c1-25-13-7-9-19-16(11-13)15-10-12(6-8-18(15)23-19)22-20(24)14-4-2-3-5-17(14)21/h2-5,7,9,11-12,23H,6,8,10H2,1H3,(H,22,24)
InChIKeyOCJNGQXRJSPDOU-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.23
Rot. Bonds3

About 2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide

2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (PubChem CID 113097039) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
PubChem CID113097039
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccccc1Br)CC3
InChIInChI=1S/C20H19BrN2O2/c1-25-13-7-9-19-16(11-13)15-10-12(6-8-18(15)23-19)22-20(24)14-4-2-3-5-17(14)21/h2-5,7,9,11-12,23H,6,8,10H2,1H3,(H,22,24)
InChIKeyOCJNGQXRJSPDOU-UHFFFAOYSA-N
XLogP4.23
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096862
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea
CID 113097077
3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097069
N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,5-dimethoxybenzamide
CID 92768204
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097090
N-cyclohexyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203935
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528
2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 91352168
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propane-1-sulfonamide
CID 113097087
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093
N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide
CID 84579141

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The IUPAC name of 2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (CID 113097039) is 2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The canonical SMILES for 2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is COc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccccc1Br)CC3.
What is the InChIKey of 2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The InChIKey is OCJNGQXRJSPDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c1-25-13-7-9-19-16(11-13)15-10-12(6-8-18(15)23-19)22-20(24)14-4-2-3-5-17(14)21/h2-5,7,9,11-12,23H,6,8,10H2,1H3,(H,22,24).
What are the key properties of 2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide has a molecular weight of 399.29 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is sourced from PubChem (CID 113097039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).