N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide

C20H17F3N2O — CID 84579548

IUPACN-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccccc1C(F)(F)F)C3
InChIInChI=1S/C20H17F3N2O/c1-11-6-7-17-14(8-11)15-9-12(10-18(15)25-17)24-19(26)13-4-2-3-5-16(13)20(21,22)23/h2-8,12,25H,9-10H2,1H3,(H,24,26)
InChIKeyAIRRWMDFGGEWHU-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.39
Rot. Bonds2

About N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide

N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 84579548) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide
PubChem CID84579548
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC NameN-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccccc1C(F)(F)F)C3
InChIInChI=1S/C20H17F3N2O/c1-11-6-7-17-14(8-11)15-9-12(10-18(15)25-17)24-19(26)13-4-2-3-5-16(13)20(21,22)23/h2-8,12,25H,9-10H2,1H3,(H,24,26)
InChIKeyAIRRWMDFGGEWHU-UHFFFAOYSA-N
XLogP4.39
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.39
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

4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471
3-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582019
2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096862
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide
CID 84581192
N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide
CID 84579834
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-4-oxopentanamide
CID 84581772
2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582539
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555134
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
3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582022
2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582542

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide (CID 84579548) is N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide is Cc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccccc1C(F)(F)F)C3.
What is the InChIKey of N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is AIRRWMDFGGEWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O/c1-11-6-7-17-14(8-11)15-9-12(10-18(15)25-17)24-19(26)13-4-2-3-5-16(13)20(21,22)23/h2-8,12,25H,9-10H2,1H3,(H,24,26).
What are the key properties of N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide?
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 358.36 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 84579548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).