N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide

C18H16F2N2O — CID 46588010

IUPACN-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC(C)c3cc(F)ccc3F)cc2c1
InChIInChI=1S/C18H16F2N2O/c1-10-3-6-16-12(7-10)8-17(22-16)18(23)21-11(2)14-9-13(19)4-5-15(14)20/h3-9,11,22H,1-2H3,(H,21,23)
InChIKeyQZSZOPMFOCXPDR-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.25
Rot. Bonds3

About N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide

N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 46588010) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID46588010
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC(C)c3cc(F)ccc3F)cc2c1
InChIInChI=1S/C18H16F2N2O/c1-10-3-6-16-12(7-10)8-17(22-16)18(23)21-11(2)14-9-13(19)4-5-15(14)20/h3-9,11,22H,1-2H3,(H,21,23)
InChIKeyQZSZOPMFOCXPDR-UHFFFAOYSA-N
XLogP4.25
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 39983681
5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 42947302
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971
(2S,3S)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194117
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 46474467
N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide
CID 130426379
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207178

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide (CID 46588010) is N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NC(C)c3cc(F)ccc3F)cc2c1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is QZSZOPMFOCXPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-10-3-6-16-12(7-10)8-17(22-16)18(23)21-11(2)14-9-13(19)4-5-15(14)20/h3-9,11,22H,1-2H3,(H,21,23).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide?
N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 46588010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).