4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide

C24H26FN3O3 — CID 11487048

IUPAC4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide
SMILESCNC(=O)C1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1
InChIInChI=1S/C24H26FN3O3/c1-17-27-9-10-28(17)21-5-3-18(4-6-21)16-31-22-14-19(13-20(25)15-22)24(23(29)26-2)7-11-30-12-8-24/h3-6,9-10,13-15H,7-8,11-12,16H2,1-2H3,(H,26,29)
InChIKeyFSJLPZWUQPVFLZ-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.69
Rot. Bonds6

About 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide

4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide (PubChem CID 11487048) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide
PubChem CID11487048
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide
SMILESCNC(=O)C1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1
InChIInChI=1S/C24H26FN3O3/c1-17-27-9-10-28(17)21-5-3-18(4-6-21)16-31-22-14-19(13-20(25)15-22)24(23(29)26-2)7-11-30-12-8-24/h3-6,9-10,13-15H,7-8,11-12,16H2,1-2H3,(H,26,29)
InChIKeyFSJLPZWUQPVFLZ-UHFFFAOYSA-N
XLogP3.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide?
The IUPAC name of 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide (CID 11487048) is 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide is CNC(=O)C1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1.
What is the InChIKey of 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide?
The InChIKey is FSJLPZWUQPVFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-17-27-9-10-28(17)21-5-3-18(4-6-21)16-31-22-14-19(13-20(25)15-22)24(23(29)26-2)7-11-30-12-8-24/h3-6,9-10,13-15H,7-8,11-12,16H2,1-2H3,(H,26,29).
What are the key properties of 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide?
4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N-methyloxane-4-carboxamide is sourced from PubChem (CID 11487048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).