5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

C17H13F3N2O2 — CID 11067605

IUPAC5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C17H13F3N2O2/c1-24-13-6-7-14-10(8-13)9-15(22-14)16(23)21-12-4-2-11(3-5-12)17(18,19)20/h2-9,22H,1H3,(H,21,23)
InChIKeyAWFQINAVRGTASE-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.45
Rot. Bonds3

About 5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 11067605) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID11067605
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C17H13F3N2O2/c1-24-13-6-7-14-10(8-13)9-15(22-14)16(23)21-12-4-2-11(3-5-12)17(18,19)20/h2-9,22H,1H3,(H,21,23)
InChIKeyAWFQINAVRGTASE-UHFFFAOYSA-N
XLogP4.45
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44527043
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647
N-(2-fluoro-4-iodophenyl)-5-methoxy-1H-indole-2-carboxamide
CID 2742913
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide
CID 83280456
6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide
CID 172905513
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
6-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indole-2-carboxamide
CID 36545679

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (CID 11067605) is 5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1.
What is the InChIKey of 5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is AWFQINAVRGTASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-24-13-6-7-14-10(8-13)9-15(22-14)16(23)21-12-4-2-11(3-5-12)17(18,19)20/h2-9,22H,1H3,(H,21,23).
What are the key properties of 5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11067605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).