4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide

C15H12F6N2O2 — CID 91613425

IUPAC4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2OC(F)(F)C(F)F)c(C(F)F)c1
InChIInChI=1S/C15H12F6N2O2/c1-23-6-8(12(16)17)9(7-23)13(24)22-10-4-2-3-5-11(10)25-15(20,21)14(18)19/h2-7,12,14H,1H3,(H,22,24)
InChIKeyVCUAHGIIXJVCBM-UHFFFAOYSA-N
MW366.26 g/mol
LogP4.45
Rot. Bonds6

About 4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide

4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide (PubChem CID 91613425) has the molecular formula C15H12F6N2O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide
PubChem CID91613425
Molecular FormulaC15H12F6N2O2
Molecular Weight366.26 g/mol
Exact Mass366.08
IUPAC Name4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2OC(F)(F)C(F)F)c(C(F)F)c1
InChIInChI=1S/C15H12F6N2O2/c1-23-6-8(12(16)17)9(7-23)13(24)22-10-4-2-3-5-11(10)25-15(20,21)14(18)19/h2-7,12,14H,1H3,(H,22,24)
InChIKeyVCUAHGIIXJVCBM-UHFFFAOYSA-N
XLogP4.45
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide
CID 91542727
5-fluoro-1,3-dimethyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazole-4-carboxamide
CID 87475107
3-carbamoyl-4-[[2-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzoic acid
CID 118626163
5-chloro-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87474784
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034362
3-carbamoyl-4-[[2-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzoic acid;1-methyl-3-(trifluoromethyl)pyrazole
CID 118626162
3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide
CID 141486765
2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 103732361
2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 43034383
2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
CID 30206059
N-[2-(2-bromophenoxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 132576443

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide (CID 91613425) is 4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide is Cn1cc(C(=O)Nc2ccccc2OC(F)(F)C(F)F)c(C(F)F)c1.
What is the InChIKey of 4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide?
The InChIKey is VCUAHGIIXJVCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N2O2/c1-23-6-8(12(16)17)9(7-23)13(24)22-10-4-2-3-5-11(10)25-15(20,21)14(18)19/h2-7,12,14H,1H3,(H,22,24).
What are the key properties of 4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide?
4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide has a molecular weight of 366.26 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 91613425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).