N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide

C18H14F4N2O2 — CID 55721215

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccc(F)cc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C18H14F4N2O2/c1-26-13-5-3-10-6-16(24-15(10)8-13)17(25)23-9-11-2-4-12(19)7-14(11)18(20,21)22/h2-8,24H,9H2,1H3,(H,23,25)
InChIKeyHDQYMHKTLWFZBX-UHFFFAOYSA-N
MW366.31 g/mol
LogP4.26
Rot. Bonds4

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 55721215) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID55721215
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccc(F)cc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C18H14F4N2O2/c1-26-13-5-3-10-6-16(24-15(10)8-13)17(25)23-9-11-2-4-12(19)7-14(11)18(20,21)22/h2-8,24H,9H2,1H3,(H,23,25)
InChIKeyHDQYMHKTLWFZBX-UHFFFAOYSA-N
XLogP4.26
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 46474467
N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55953711
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 55708503
N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide
CID 90599204
N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 75417280
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989
N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 134003047
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-(3-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 110862680
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
CID 163867885
6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 71809971

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide (CID 55721215) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3ccc(F)cc3C(F)(F)F)[nH]c2c1.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is HDQYMHKTLWFZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c1-26-13-5-3-10-6-16(24-15(10)8-13)17(25)23-9-11-2-4-12(19)7-14(11)18(20,21)22/h2-8,24H,9H2,1H3,(H,23,25).
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 366.31 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 55721215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).