2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide

C11H9F3N4O2 — CID 24987221

IUPAC2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(C(F)(F)F)ccc2c1C(N)=O
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)4-1-2-5-6(3-4)17-9(18-10(16)20)7(5)8(15)19/h1-3,17H,(H2,15,19)(H3,16,18,20)
InChIKeyCDUJKCPLAUUXIG-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.78
Rot. Bonds2

About 2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide

2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide (PubChem CID 24987221) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide
PubChem CID24987221
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(C(F)(F)F)ccc2c1C(N)=O
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)4-1-2-5-6(3-4)17-9(18-10(16)20)7(5)8(15)19/h1-3,17H,(H2,15,19)(H3,16,18,20)
InChIKeyCDUJKCPLAUUXIG-UHFFFAOYSA-N
XLogP1.78
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide (CID 24987221) is 2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide is NC(=O)Nc1[nH]c2cc(C(F)(F)F)ccc2c1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide?
The InChIKey is CDUJKCPLAUUXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c12-11(13,14)4-1-2-5-6(3-4)17-9(18-10(16)20)7(5)8(15)19/h1-3,17H,(H2,15,19)(H3,16,18,20).
What are the key properties of 2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide has a molecular weight of 286.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-(trifluoromethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 24987221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).