N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide

C14H10F6N2O — CID 162733829

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10F6N2O/c1-22-4-2-3-11(22)12(23)21-10-6-8(13(15,16)17)5-9(7-10)14(18,19)20/h2-7H,1H3,(H,21,23)
InChIKeyNBOFKQLGVRCNCY-UHFFFAOYSA-N
MW336.24 g/mol
LogP4.32
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 162733829) has the molecular formula C14H10F6N2O and a molecular weight of 336.24 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID162733829
Molecular FormulaC14H10F6N2O
Molecular Weight336.24 g/mol
Exact Mass336.07
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10F6N2O/c1-22-4-2-3-11(22)12(23)21-10-6-8(13(15,16)17)5-9(7-10)14(18,19)20/h2-7H,1H3,(H,21,23)
InChIKeyNBOFKQLGVRCNCY-UHFFFAOYSA-N
XLogP4.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 55520483
N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 65431810
1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide
CID 139398325
(1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 12648627
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 24529336
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 1-methylpyrrole-2-carboxylate
CID 7284641
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43599964
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
methyl 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 53356057

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 162733829) is N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is NBOFKQLGVRCNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2O/c1-22-4-2-3-11(22)12(23)21-10-6-8(13(15,16)17)5-9(7-10)14(18,19)20/h2-7H,1H3,(H,21,23).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 336.24 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 162733829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).