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

C21H21ClN2O2 — CID 84579933

IUPAC5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCc2c([nH]c3ccc(C)cc23)C1
InChIInChI=1S/C21H21ClN2O2/c1-12-3-7-18-16(9-12)15-6-5-14(11-19(15)24-18)23-21(25)17-10-13(22)4-8-20(17)26-2/h3-4,7-10,14,24H,5-6,11H2,1-2H3,(H,23,25)
InChIKeyUTHNLCQANPZQBE-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.43
Rot. Bonds3

About 5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide

5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide (PubChem CID 84579933) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
PubChem CID84579933
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCc2c([nH]c3ccc(C)cc23)C1
InChIInChI=1S/C21H21ClN2O2/c1-12-3-7-18-16(9-12)15-6-5-14(11-19(15)24-18)23-21(25)17-10-13(22)4-8-20(17)26-2/h3-4,7-10,14,24H,5-6,11H2,1-2H3,(H,23,25)
InChIKeyUTHNLCQANPZQBE-UHFFFAOYSA-N
XLogP4.43
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.43
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-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580341
4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84582311
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096862
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide
CID 84579968
2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579227
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide
CID 84580220
5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108552263
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide
CID 84579548
5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 848313
2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84580106

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide (CID 84579933) is 5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide is COc1ccc(Cl)cc1C(=O)NC1CCc2c([nH]c3ccc(C)cc23)C1.
What is the InChIKey of 5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
The InChIKey is UTHNLCQANPZQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-12-3-7-18-16(9-12)15-6-5-14(11-19(15)24-18)23-21(25)17-10-13(22)4-8-20(17)26-2/h3-4,7-10,14,24H,5-6,11H2,1-2H3,(H,23,25).
What are the key properties of 5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide has a molecular weight of 368.86 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide is sourced from PubChem (CID 84579933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).