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

C12H12F2N2O — CID 115611586

IUPACN-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide
SMILESCN(CC(F)F)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H12F2N2O/c1-16(7-11(13)14)12(17)10-6-8-4-2-3-5-9(8)15-10/h2-6,11,15H,7H2,1H3
InChIKeyYNMAJCAEHUZJIK-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.51
Rot. Bonds3

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

N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide (PubChem CID 115611586) 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-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide
PubChem CID115611586
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC NameN-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide
SMILESCN(CC(F)F)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H12F2N2O/c1-16(7-11(13)14)12(17)10-6-8-4-2-3-5-9(8)15-10/h2-6,11,15H,7H2,1H3
InChIKeyYNMAJCAEHUZJIK-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

N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535
N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide
CID 55026359
N-ethyl-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 43421005
CID 156649576
CID 156649576
N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63707249
N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 29217686
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide
CID 60712381
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 9374474
N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide
CID 61063579
N-ethyl-N-phenyl-1H-indole-2-carboxamide
CID 43398536
N-(4-hydroxyphenyl)-N-methyl-1H-indole-2-carboxamide
CID 28739354

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide (CID 115611586) is N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide is CN(CC(F)F)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide?
The InChIKey is YNMAJCAEHUZJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-16(7-11(13)14)12(17)10-6-8-4-2-3-5-9(8)15-10/h2-6,11,15H,7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide?
N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-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-2-carboxamide is sourced from PubChem (CID 115611586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).