2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide

C16H18F3N3O — CID 52921332

IUPAC2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide
SMILESNc1[nH]c2cc(C(F)(F)F)ccc2c1C(=O)NC1CCCCC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)9-6-7-11-12(8-9)22-14(20)13(11)15(23)21-10-4-2-1-3-5-10/h6-8,10,22H,1-5,20H2,(H,21,23)
InChIKeyOXLCBKDLBSBEAE-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.83
Rot. Bonds2

About 2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide

2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide (PubChem CID 52921332) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide
PubChem CID52921332
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide
SMILESNc1[nH]c2cc(C(F)(F)F)ccc2c1C(=O)NC1CCCCC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)9-6-7-11-12(8-9)22-14(20)13(11)15(23)21-10-4-2-1-3-5-10/h6-8,10,22H,1-5,20H2,(H,21,23)
InChIKeyOXLCBKDLBSBEAE-UHFFFAOYSA-N
XLogP3.83
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide?
The IUPAC name of 2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide (CID 52921332) is 2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide is Nc1[nH]c2cc(C(F)(F)F)ccc2c1C(=O)NC1CCCCC1.
What is the InChIKey of 2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide?
The InChIKey is OXLCBKDLBSBEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c17-16(18,19)9-6-7-11-12(8-9)22-14(20)13(11)15(23)21-10-4-2-1-3-5-10/h6-8,10,22H,1-5,20H2,(H,21,23).
What are the key properties of 2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide?
2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 3.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-6-(trifluoromethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 52921332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).