N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide

C19H19FN2O — CID 113204665

IUPACN-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1[nH]c2ccc(F)cc2c1C)c1cccc(C)c1
InChIInChI=1S/C19H19FN2O/c1-4-22(15-7-5-6-12(2)10-15)19(23)18-13(3)16-11-14(20)8-9-17(16)21-18/h5-11,21H,4H2,1-3H3
InChIKeyTWRRRKYLOWWSIM-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.59
Rot. Bonds3

About N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide

N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide (PubChem CID 113204665) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
PubChem CID113204665
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC NameN-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1[nH]c2ccc(F)cc2c1C)c1cccc(C)c1
InChIInChI=1S/C19H19FN2O/c1-4-22(15-7-5-6-12(2)10-15)19(23)18-13(3)16-11-14(20)8-9-17(16)21-18/h5-11,21H,4H2,1-3H3
InChIKeyTWRRRKYLOWWSIM-UHFFFAOYSA-N
XLogP4.59
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide
CID 113211908
N-ethyl-4-fluoro-2-methyl-N-(3-methylphenyl)benzamide
CID 115745612
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
1-(5-fluoro-3-methyl-1H-indol-2-yl)butan-1-one
CID 162435460
6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide
CID 113205333
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
CID 110428645
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 63102705
N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108962651
N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 110766453

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide (CID 113204665) is N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide is CCN(C(=O)c1[nH]c2ccc(F)cc2c1C)c1cccc(C)c1.
What is the InChIKey of N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide?
The InChIKey is TWRRRKYLOWWSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-4-22(15-7-5-6-12(2)10-15)19(23)18-13(3)16-11-14(20)8-9-17(16)21-18/h5-11,21H,4H2,1-3H3.
What are the key properties of N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide?
N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113204665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).