N-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide

C18H18F6N2O — CID 71663152

IUPACN-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C18H18F6N2O/c19-17(20,21)10-7-13(18(22,23)24)12-9-15(26-14(12)8-10)16(27)25-11-5-3-1-2-4-6-11/h7-9,11,26H,1-6H2,(H,25,27)
InChIKeyGYAYTRYRAAEEDC-UHFFFAOYSA-N
MW392.34 g/mol
LogP5.66
Rot. Bonds2

About N-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide

N-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 71663152) has the molecular formula C18H18F6N2O and a molecular weight of 392.34 g/mol. Its IUPAC name is N-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide
PubChem CID71663152
Molecular FormulaC18H18F6N2O
Molecular Weight392.34 g/mol
Exact Mass392.13
IUPAC NameN-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C18H18F6N2O/c19-17(20,21)10-7-13(18(22,23)24)12-9-15(26-14(12)8-10)16(27)25-11-5-3-1-2-4-6-11/h7-9,11,26H,1-6H2,(H,25,27)
InChIKeyGYAYTRYRAAEEDC-UHFFFAOYSA-N
XLogP5.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.34
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2-phenylethyl)-1H-indole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide (CID 71663152) is N-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide is O=C(NC1CCCCCC1)c1cc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of N-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide?
The InChIKey is GYAYTRYRAAEEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6N2O/c19-17(20,21)10-7-13(18(22,23)24)12-9-15(26-14(12)8-10)16(27)25-11-5-3-1-2-4-6-11/h7-9,11,26H,1-6H2,(H,25,27).
What are the key properties of N-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide?
N-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 5.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 71663152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).