N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide

C12H12F2N2O — CID 113231691

IUPACN-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide
SMILESCN(CC(F)F)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H12F2N2O/c1-16(7-11(13)14)12(17)9-3-2-8-4-5-15-10(8)6-9/h2-6,11,15H,7H2,1H3
InChIKeyDPDYQBNEMIXURG-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.51
Rot. Bonds3

About N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide

N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide (PubChem CID 113231691) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide
PubChem CID113231691
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC NameN-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide
SMILESCN(CC(F)F)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H12F2N2O/c1-16(7-11(13)14)12(17)9-3-2-8-4-5-15-10(8)6-9/h2-6,11,15H,7H2,1H3
InChIKeyDPDYQBNEMIXURG-UHFFFAOYSA-N
XLogP2.51
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid
CID 63749646
N-chloro-N-methyl-1H-indole-6-carboxamide
CID 156761567
N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide
CID 114217639
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1H-indole-6-carboxamide
CID 103190473
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 91790635
N-butyl-N-methyl-1H-indole-5-carboxamide
CID 63717689
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 63373207
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-6-carboxamide
CID 64510794
N-methyl-N-(2-phenylmethoxyethyl)-1H-indole-6-carboxamide
CID 166216963
2-[1H-indole-5-carbonyl(methyl)amino]butanoic acid
CID 63748775
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 29027206
4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide
CID 115611577

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide (CID 113231691) is N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide is CN(CC(F)F)C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide?
The InChIKey is DPDYQBNEMIXURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-16(7-11(13)14)12(17)9-3-2-8-4-5-15-10(8)6-9/h2-6,11,15H,7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide?
N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide has a molecular weight of 238.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide is sourced from PubChem (CID 113231691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).