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

C20H19BrN2O — CID 113096862

IUPAC2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESCc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccccc1Br)CC3
InChIInChI=1S/C20H19BrN2O/c1-12-6-8-18-15(10-12)16-11-13(7-9-19(16)23-18)22-20(24)14-4-2-3-5-17(14)21/h2-6,8,10,13,23H,7,9,11H2,1H3,(H,22,24)
InChIKeyBXJQKQZVCQHYNF-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.53
Rot. Bonds2

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

2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (PubChem CID 113096862) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is 2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
PubChem CID113096862
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESCc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccccc1Br)CC3
InChIInChI=1S/C20H19BrN2O/c1-12-6-8-18-15(10-12)16-11-13(7-9-19(16)23-18)22-20(24)14-4-2-3-5-17(14)21/h2-6,8,10,13,23H,7,9,11H2,1H3,(H,22,24)
InChIKeyBXJQKQZVCQHYNF-UHFFFAOYSA-N
XLogP4.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.53
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

2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097039
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide
CID 84579548
benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 129322953
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528
1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 110013443
N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,5-dimethoxybenzamide
CID 92768204
4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84582311
5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579933
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471
N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide
CID 92768183
4-methyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096912
2-methyl-1-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]propan-2-ol
CID 110005257

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The IUPAC name of 2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (CID 113096862) is 2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The canonical SMILES for 2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is Cc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccccc1Br)CC3.
What is the InChIKey of 2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The InChIKey is BXJQKQZVCQHYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O/c1-12-6-8-18-15(10-12)16-11-13(7-9-19(16)23-18)22-20(24)14-4-2-3-5-17(14)21/h2-6,8,10,13,23H,7,9,11H2,1H3,(H,22,24).
What are the key properties of 2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide has a molecular weight of 383.29 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is sourced from PubChem (CID 113096862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).