N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide

C18H17FN2O — CID 51190000

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H17FN2O/c1-2-21(12-13-6-5-8-15(19)10-13)18(22)17-11-14-7-3-4-9-16(14)20-17/h3-11,20H,2,12H2,1H3
InChIKeyFSVJSDCGTRQYLK-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.97
Rot. Bonds4

About N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide

N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 51190000) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
PubChem CID51190000
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H17FN2O/c1-2-21(12-13-6-5-8-15(19)10-13)18(22)17-11-14-7-3-4-9-16(14)20-17/h3-11,20H,2,12H2,1H3
InChIKeyFSVJSDCGTRQYLK-UHFFFAOYSA-N
XLogP3.97
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-2-oxoethyl)-N-ethyl-1H-indole-2-carboxamide
CID 103103798
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 33032265
N-ethyl-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 43421005
N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 32647564
N-ethyl-N-[(3-fluorophenyl)methyl]-2H-triazole-4-carboxamide
CID 47335109
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135171023
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
N-benzyl-5-fluoro-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 39999780
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide
CID 135821179
2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid
CID 107424007

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide (CID 51190000) is N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide is CCN(Cc1cccc(F)c1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is FSVJSDCGTRQYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-2-21(12-13-6-5-8-15(19)10-13)18(22)17-11-14-7-3-4-9-16(14)20-17/h3-11,20H,2,12H2,1H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 51190000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).