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

C18H14F4N2O — CID 46474467

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3ccc(F)cc3C(F)(F)F)cc2c1
InChIInChI=1S/C18H14F4N2O/c1-10-2-5-15-12(6-10)7-16(24-15)17(25)23-9-11-3-4-13(19)8-14(11)18(20,21)22/h2-8,24H,9H2,1H3,(H,23,25)
InChIKeyCUUWVMXDYLTLOM-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.56
Rot. Bonds3

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

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 46474467) has the molecular formula C18H14F4N2O and a molecular weight of 350.32 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID46474467
Molecular FormulaC18H14F4N2O
Molecular Weight350.32 g/mol
Exact Mass350.10
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3ccc(F)cc3C(F)(F)F)cc2c1
InChIInChI=1S/C18H14F4N2O/c1-10-2-5-15-12(6-10)7-16(24-15)17(25)23-9-11-3-4-13(19)8-14(11)18(20,21)22/h2-8,24H,9H2,1H3,(H,23,25)
InChIKeyCUUWVMXDYLTLOM-UHFFFAOYSA-N
XLogP4.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55721215
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide
CID 46474447
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 46588010
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921177
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 46485625
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014440
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide (CID 46474467) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCc3ccc(F)cc3C(F)(F)F)cc2c1.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is CUUWVMXDYLTLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O/c1-10-2-5-15-12(6-10)7-16(24-15)17(25)23-9-11-3-4-13(19)8-14(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]-5-methyl-1H-indole-2-carboxamide?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 350.32 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 46474467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).