5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

C17H12F4N2O — CID 113204635

IUPAC5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H12F4N2O/c1-9-13-8-11(18)4-7-14(13)23-15(9)16(24)22-12-5-2-10(3-6-12)17(19,20)21/h2-8,23H,1H3,(H,22,24)
InChIKeyQJFSFPMVLBHHIO-UHFFFAOYSA-N
MW336.29 g/mol
LogP4.89
Rot. Bonds2

About 5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 113204635) has the molecular formula C17H12F4N2O and a molecular weight of 336.29 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID113204635
Molecular FormulaC17H12F4N2O
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H12F4N2O/c1-9-13-8-11(18)4-7-14(13)23-15(9)16(24)22-12-5-2-10(3-6-12)17(19,20)21/h2-8,23H,1H3,(H,22,24)
InChIKeyQJFSFPMVLBHHIO-UHFFFAOYSA-N
XLogP4.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide
CID 113204658
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204627
6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206284
N-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113204660
1-(5-fluoro-3-methyl-1H-indol-2-yl)butan-1-one
CID 162435460
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110766224
5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113204648
N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204265
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376
N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204938

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (CID 113204635) is 5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is QJFSFPMVLBHHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O/c1-9-13-8-11(18)4-7-14(13)23-15(9)16(24)22-12-5-2-10(3-6-12)17(19,20)21/h2-8,23H,1H3,(H,22,24).
What are the key properties of 5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 336.29 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 113204635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).