4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide

C11H9F3N2O2 — CID 175836718

IUPAC4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(N)=O)c(C(F)(F)F)c12
InChIInChI=1S/C11H9F3N2O2/c1-18-6-4-2-3-5-7(6)8(11(12,13)14)9(16-5)10(15)17/h2-4,16H,1H3,(H2,15,17)
InChIKeyVCMRMMOWEZNTME-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.29
Rot. Bonds2

About 4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide

4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 175836718) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide
PubChem CID175836718
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(N)=O)c(C(F)(F)F)c12
InChIInChI=1S/C11H9F3N2O2/c1-18-6-4-2-3-5-7(6)8(11(12,13)14)9(16-5)10(15)17/h2-4,16H,1H3,(H2,15,17)
InChIKeyVCMRMMOWEZNTME-UHFFFAOYSA-N
XLogP2.29
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide?
The IUPAC name of 4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide (CID 175836718) is 4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(N)=O)c(C(F)(F)F)c12.
What is the InChIKey of 4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide?
The InChIKey is VCMRMMOWEZNTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-18-6-4-2-3-5-7(6)8(11(12,13)14)9(16-5)10(15)17/h2-4,16H,1H3,(H2,15,17).
What are the key properties of 4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide?
4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide has a molecular weight of 258.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 175836718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).