N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide

C12H10F2N2O — CID 123904260

IUPACN-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1ccc[nH]1)c1c(F)cccc1F
InChIInChI=1S/C12H10F2N2O/c1-16(12(17)10-6-3-7-15-10)11-8(13)4-2-5-9(11)14/h2-7,15H,1H3
InChIKeyZXNCABPHJRYJHD-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.57
Rot. Bonds2

About N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide

N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 123904260) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID123904260
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC NameN-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1ccc[nH]1)c1c(F)cccc1F
InChIInChI=1S/C12H10F2N2O/c1-16(12(17)10-6-3-7-15-10)11-8(13)4-2-5-9(11)14/h2-7,15H,1H3
InChIKeyZXNCABPHJRYJHD-UHFFFAOYSA-N
XLogP2.57
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(6-amino-3-pyridinyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 115274565
2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide
CID 82090708
N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 135071666
2-amino-N-(2,6-difluorophenyl)-N-methylacetamide
CID 28794668
N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 115765120
N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 115274897
N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 74884160
N-hydroxy-N-phenyl-1H-pyrrole-2-carboxamide
CID 22360432
3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402389
(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 114558735
(115N)1H-pyrrole-2-carboxylic acid
CID 58083588
N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide
CID 91650502

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide (CID 123904260) is N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide is CN(C(=O)c1ccc[nH]1)c1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is ZXNCABPHJRYJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c1-16(12(17)10-6-3-7-15-10)11-8(13)4-2-5-9(11)14/h2-7,15H,1H3.
What are the key properties of N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide?
N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 236.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 123904260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).