N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide

C12H10F2N2O — CID 67517600

IUPACN-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H10F2N2O/c1-16-7-3-6-10(16)12(17)15-11-8(13)4-2-5-9(11)14/h2-7H,1H3,(H,15,17)
InChIKeyFSKWYYIFNMTRNG-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.56
Rot. Bonds2

About N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide

N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 67517600) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID67517600
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC NameN-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H10F2N2O/c1-16-7-3-6-10(16)12(17)15-11-8(13)4-2-5-9(11)14/h2-7H,1H3,(H,15,17)
InChIKeyFSKWYYIFNMTRNG-UHFFFAOYSA-N
XLogP2.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692966
4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411067
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
CID 110467115
N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 65431810
4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 28741909
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 162733829
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850
1-methylpyrrole-2-carbonyl fluoride
CID 119090351
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide
CID 139398325
1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 71781655

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide (CID 67517600) is N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is FSKWYYIFNMTRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c1-16-7-3-6-10(16)12(17)15-11-8(13)4-2-5-9(11)14/h2-7H,1H3,(H,15,17).
What are the key properties of N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide?
N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 236.22 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 67517600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).