N-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide

C17H13F4N3O4 — CID 170791662

IUPACN-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide
SMILESO=C(Nc1cccn(C2CCC(F)(F)C2)c1=O)c1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C17H13F4N3O4/c18-11-6-10(24(27)28)7-12(19)14(11)15(25)22-13-2-1-5-23(16(13)26)9-3-4-17(20,21)8-9/h1-2,5-7,9H,3-4,8H2,(H,22,25)
InChIKeySJEFLZDDMZMOKS-UHFFFAOYSA-N
MW399.30 g/mol
LogP3.65
Rot. Bonds4

About N-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide

N-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide (PubChem CID 170791662) has the molecular formula C17H13F4N3O4 and a molecular weight of 399.30 g/mol. Its IUPAC name is N-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide
PubChem CID170791662
Molecular FormulaC17H13F4N3O4
Molecular Weight399.30 g/mol
Exact Mass399.08
IUPAC NameN-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide
SMILESO=C(Nc1cccn(C2CCC(F)(F)C2)c1=O)c1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C17H13F4N3O4/c18-11-6-10(24(27)28)7-12(19)14(11)15(25)22-13-2-1-5-23(16(13)26)9-3-4-17(20,21)8-9/h1-2,5-7,9H,3-4,8H2,(H,22,25)
InChIKeySJEFLZDDMZMOKS-UHFFFAOYSA-N
XLogP3.65
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-fluoro-6-(4-methylpiperidin-1-yl)-4-nitrobenzamide
CID 170950062
1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 2873591
2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrimidin-2-yl]-6-fluoro-4-nitrobenzamide
CID 171825068
(4S)-N-(2-fluorophenyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7446554
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 86780953
2,6-difluoro-N-(4-nitrophenyl)benzamide
CID 2841260
N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-fluoro-6-[(1S,6S)-6-methyl-3-azabicyclo[4.2.0]octan-3-yl]-4-nitrobenzamide
CID 170950058
(4R)-N-(2,3-dimethylphenyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1420886
N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide
CID 19836482
N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
CID 3483393
N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599222

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide?
The IUPAC name of N-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide (CID 170791662) is N-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide.
What is the SMILES notation for N-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide?
The canonical SMILES for N-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide is O=C(Nc1cccn(C2CCC(F)(F)C2)c1=O)c1c(F)cc([N+](=O)[O-])cc1F.
What is the InChIKey of N-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide?
The InChIKey is SJEFLZDDMZMOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O4/c18-11-6-10(24(27)28)7-12(19)14(11)15(25)22-13-2-1-5-23(16(13)26)9-3-4-17(20,21)8-9/h1-2,5-7,9H,3-4,8H2,(H,22,25).
What are the key properties of N-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide?
N-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide has a molecular weight of 399.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-difluorocyclopentyl)-2-oxo-3-pyridinyl]-2,6-difluoro-4-nitrobenzamide is sourced from PubChem (CID 170791662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).