N-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide

C21H24F2N2O3 — CID 167246165

IUPACN-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide
SMILESCOCCOc1cc(F)ccc1-c1cc(NC(=O)C2CCCCC2)ncc1F
InChIInChI=1S/C21H24F2N2O3/c1-27-9-10-28-19-11-15(22)7-8-16(19)17-12-20(24-13-18(17)23)25-21(26)14-5-3-2-4-6-14/h7-8,11-14H,2-6,9-10H2,1H3,(H,24,25,26)
InChIKeyDYZGYYFTIGBJRU-UHFFFAOYSA-N
MW390.43 g/mol
LogP4.57
Rot. Bonds7

About N-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide

N-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide (PubChem CID 167246165) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide
PubChem CID167246165
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC NameN-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide
SMILESCOCCOc1cc(F)ccc1-c1cc(NC(=O)C2CCCCC2)ncc1F
InChIInChI=1S/C21H24F2N2O3/c1-27-9-10-28-19-11-15(22)7-8-16(19)17-12-20(24-13-18(17)23)25-21(26)14-5-3-2-4-6-14/h7-8,11-14H,2-6,9-10H2,1H3,(H,24,25,26)
InChIKeyDYZGYYFTIGBJRU-UHFFFAOYSA-N
XLogP4.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide (CID 167246165) is N-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide is COCCOc1cc(F)ccc1-c1cc(NC(=O)C2CCCCC2)ncc1F.
What is the InChIKey of N-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide?
The InChIKey is DYZGYYFTIGBJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-27-9-10-28-19-11-15(22)7-8-16(19)17-12-20(24-13-18(17)23)25-21(26)14-5-3-2-4-6-14/h7-8,11-14H,2-6,9-10H2,1H3,(H,24,25,26).
What are the key properties of N-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide?
N-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide has a molecular weight of 390.43 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 167246165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).