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

C20H19BrN2O — CID 11749400

IUPACN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C20H19BrN2O/c1-12-5-2-3-6-14(12)20(24)23-18-8-4-7-15-16-11-13(21)9-10-17(16)22-19(15)18/h2-3,5-6,9-11,18,22H,4,7-8H2,1H3,(H,23,24)
InChIKeyLKBWUDPCNZLBRX-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.05
Rot. Bonds2

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

N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide (PubChem CID 11749400) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide
PubChem CID11749400
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC NameN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C20H19BrN2O/c1-12-5-2-3-6-14(12)20(24)23-18-8-4-7-15-16-11-13(21)9-10-17(16)22-19(15)18/h2-3,5-6,9-11,18,22H,4,7-8H2,1H3,(H,23,24)
InChIKeyLKBWUDPCNZLBRX-UHFFFAOYSA-N
XLogP5.05
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 589075
LY-344864
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CID 5329104
Phenyl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 363110
N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-2-(5-bromo-1H-indol-3-yl)-acetamide
CID 11539744
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CID 1249789
N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2840380
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CID 4022553
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5-Benzyl-9-bromopaullone
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N-(3-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
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N-(4-bromophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951956

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide?
The IUPAC name of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide (CID 11749400) is N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide.
What is the SMILES notation for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide?
The canonical SMILES for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCCc2c1[nH]c1ccc(Br)cc21.
What is the InChIKey of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide?
The InChIKey is LKBWUDPCNZLBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O/c1-12-5-2-3-6-14(12)20(24)23-18-8-4-7-15-16-11-13(21)9-10-17(16)22-19(15)18/h2-3,5-6,9-11,18,22H,4,7-8H2,1H3,(H,23,24).
What are the key properties of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide?
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide has a molecular weight of 383.29 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide is sourced from PubChem (CID 11749400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).