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

C18H16F2N2O — CID 46591635

IUPACN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H16F2N2O/c1-11(14-10-13(19)7-8-15(14)20)22(2)18(23)17-9-12-5-3-4-6-16(12)21-17/h3-11,21H,1-2H3
InChIKeyQNZGMNCBCLYZCH-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.28
Rot. Bonds3

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

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 46591635) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide
PubChem CID46591635
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H16F2N2O/c1-11(14-10-13(19)7-8-15(14)20)22(2)18(23)17-9-12-5-3-4-6-16(12)21-17/h3-11,21H,1-2H3
InChIKeyQNZGMNCBCLYZCH-UHFFFAOYSA-N
XLogP4.28
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46588913
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 39976177
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 86998208
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119717498
CID 156649576
CID 156649576
N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide
CID 115611586
N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62726518
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 37494055
N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645773
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62637683

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide (CID 46591635) is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide is CC(c1cc(F)ccc1F)N(C)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is QNZGMNCBCLYZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-11(14-10-13(19)7-8-15(14)20)22(2)18(23)17-9-12-5-3-4-6-16(12)21-17/h3-11,21H,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide?
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 46591635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).