N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide

C20H19F3N2O — CID 51114733

IUPACN-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C20H19F3N2O/c21-20(22,23)15-7-3-4-8-17(15)25-19(26)18-11-14-13-6-2-1-5-12(13)9-10-16(14)24-18/h1-2,5-6,9-11,15,17,24H,3-4,7-8H2,(H,25,26)
InChIKeyFNVSGXYZFOYNEL-UHFFFAOYSA-N
MW360.38 g/mol
LogP5.17
Rot. Bonds2

About N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide

N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide (PubChem CID 51114733) has the molecular formula C20H19F3N2O and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide
PubChem CID51114733
Molecular FormulaC20H19F3N2O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C20H19F3N2O/c21-20(22,23)15-7-3-4-8-17(15)25-19(26)18-11-14-13-6-2-1-5-12(13)9-10-16(14)24-18/h1-2,5-6,9-11,15,17,24H,3-4,7-8H2,(H,25,26)
InChIKeyFNVSGXYZFOYNEL-UHFFFAOYSA-N
XLogP5.17
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 39977666
3H-benzo[e]indole-2-carboxamide
CID 69052139
N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide
CID 111480381
2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 60722477
N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 60722498
3-ethyl-4-oxo-2-sulfanylidene-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]-1H-quinazoline-7-carboxamide
CID 35247625
4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 63188254
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 94811143
3-methyl-4-oxo-2-sulfanylidene-N-[2-(trifluoromethyl)cyclohexyl]-1H-quinazoline-7-carboxamide
CID 51112589
2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 103754162
3H-benzo[e]indol-2-yl-[(2R,6R)-2,6-dimethylazepan-1-yl]methanone
CID 99811069
N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide
CID 71889496

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide (CID 51114733) is N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide is O=C(NC1CCCCC1C(F)(F)F)c1cc2c(ccc3ccccc32)[nH]1.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide?
The InChIKey is FNVSGXYZFOYNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O/c21-20(22,23)15-7-3-4-8-17(15)25-19(26)18-11-14-13-6-2-1-5-12(13)9-10-16(14)24-18/h1-2,5-6,9-11,15,17,24H,3-4,7-8H2,(H,25,26).
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide?
N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide is sourced from PubChem (CID 51114733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).