3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide

C15H9F6N3O3 — CID 21325121

IUPAC3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide
SMILESO=C(NC(=O)c1c(F)cncc1F)Nc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C15H9F6N3O3/c16-9-5-22-6-10(17)11(9)12(25)24-14(26)23-7-1-3-8(4-2-7)27-15(20,21)13(18)19/h1-6,13H,(H2,23,24,25,26)
InChIKeyHVLVPDYFRPUTHN-UHFFFAOYSA-N
MW393.24 g/mol
LogP3.56
Rot. Bonds5

About 3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide

3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide (PubChem CID 21325121) has the molecular formula C15H9F6N3O3 and a molecular weight of 393.24 g/mol. Its IUPAC name is 3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide
PubChem CID21325121
Molecular FormulaC15H9F6N3O3
Molecular Weight393.24 g/mol
Exact Mass393.05
IUPAC Name3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide
SMILESO=C(NC(=O)c1c(F)cncc1F)Nc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C15H9F6N3O3/c16-9-5-22-6-10(17)11(9)12(25)24-14(26)23-7-1-3-8(4-2-7)27-15(20,21)13(18)19/h1-6,13H,(H2,23,24,25,26)
InChIKeyHVLVPDYFRPUTHN-UHFFFAOYSA-N
XLogP3.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide
CID 14823060
2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
CID 134122808
N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
CID 53439408
2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
CID 13251606
ethyl 4-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]benzoate
CID 11632715
N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]pyridine-3-carboxamide
CID 21203387
N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 21203373
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide
CID 20524560
N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 141254822
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide (CID 21325121) is 3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide is O=C(NC(=O)c1c(F)cncc1F)Nc1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of 3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide?
The InChIKey is HVLVPDYFRPUTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O3/c16-9-5-22-6-10(17)11(9)12(25)24-14(26)23-7-1-3-8(4-2-7)27-15(20,21)13(18)19/h1-6,13H,(H2,23,24,25,26).
What are the key properties of 3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide?
3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide has a molecular weight of 393.24 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide is sourced from PubChem (CID 21325121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).