1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide

C17H13F3N2O2 — CID 901336

IUPAC1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)c2ccc(C(F)(F)F)cc2n1O
InChIInChI=1S/C17H13F3N2O2/c1-10-15(16(23)21-12-5-3-2-4-6-12)13-8-7-11(17(18,19)20)9-14(13)22(10)24/h2-9,24H,1H3,(H,21,23)
InChIKeyHXVYGLARFPWKJJ-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.46
Rot. Bonds2

About 1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide

1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide (PubChem CID 901336) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide
PubChem CID901336
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)c2ccc(C(F)(F)F)cc2n1O
InChIInChI=1S/C17H13F3N2O2/c1-10-15(16(23)21-12-5-3-2-4-6-12)13-8-7-11(17(18,19)20)9-14(13)22(10)24/h2-9,24H,1H3,(H,21,23)
InChIKeyHXVYGLARFPWKJJ-UHFFFAOYSA-N
XLogP4.46
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

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1H-Indole-3-carboxaldehyde, 1-methoxy-2-phenyl-
CID 84728
2-Methyl indole, 16
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2,3-Dimethyl-4-[3-[(1-oxo-2-propen-1-yl)amino]phenyl]-1H-indole-7-carboxamide
CID 121293751
2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
CID 121293832
2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
CID 121293882
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CID 121293911

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide?
The IUPAC name of 1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide (CID 901336) is 1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide.
What is the SMILES notation for 1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide?
The canonical SMILES for 1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide is Cc1c(C(=O)Nc2ccccc2)c2ccc(C(F)(F)F)cc2n1O.
What is the InChIKey of 1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide?
The InChIKey is HXVYGLARFPWKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-10-15(16(23)21-12-5-3-2-4-6-12)13-8-7-11(17(18,19)20)9-14(13)22(10)24/h2-9,24H,1H3,(H,21,23).
What are the key properties of 1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide?
1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide is sourced from PubChem (CID 901336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).