4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

C19H17F3N2O4 — CID 4975849

IUPAC4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESCOc1cc2[nH]c(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c(OC)c1OC
InChIInChI=1S/C19H17F3N2O4/c1-26-15-9-13-12(16(27-2)17(15)28-3)8-14(24-13)18(25)23-11-6-4-5-10(7-11)19(20,21)22/h4-9,24H,1-3H3,(H,23,25)
InChIKeyVFLMGQXWTHFZBW-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.46
Rot. Bonds5

About 4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 4975849) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID4975849
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC Name4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESCOc1cc2[nH]c(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c(OC)c1OC
InChIInChI=1S/C19H17F3N2O4/c1-26-15-9-13-12(16(27-2)17(15)28-3)8-14(24-13)18(25)23-11-6-4-5-10(7-11)19(20,21)22/h4-9,24H,1-3H3,(H,23,25)
InChIKeyVFLMGQXWTHFZBW-UHFFFAOYSA-N
XLogP4.46
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 17362444
3-iodo-4-methoxy-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43878187
5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146622236
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4858287
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
1-(3-chloro-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2632843
4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 10110546

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (CID 4975849) is 4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is COc1cc2[nH]c(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c(OC)c1OC.
What is the InChIKey of 4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is VFLMGQXWTHFZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-26-15-9-13-12(16(27-2)17(15)28-3)8-14(24-13)18(25)23-11-6-4-5-10(7-11)19(20,21)22/h4-9,24H,1-3H3,(H,23,25).
What are the key properties of 4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 4975849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).