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

C25H28FN3O3 — CID 11774961

IUPAC4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N,N-dimethyloxane-4-carboxamide
SMILESCc1nccn1-c1ccc(COc2cc(F)cc(C3(C(=O)N(C)C)CCOCC3)c2)cc1
InChIInChI=1S/C25H28FN3O3/c1-18-27-10-11-29(18)22-6-4-19(5-7-22)17-32-23-15-20(14-21(26)16-23)25(24(30)28(2)3)8-12-31-13-9-25/h4-7,10-11,14-16H,8-9,12-13,17H2,1-3H3
InChIKeyIPCQBIDHAOVNPK-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.04
Rot. Bonds6

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

4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N,N-dimethyloxane-4-carboxamide (PubChem CID 11774961) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N,N-dimethyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N,N-dimethyloxane-4-carboxamide
PubChem CID11774961
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N,N-dimethyloxane-4-carboxamide
SMILESCc1nccn1-c1ccc(COc2cc(F)cc(C3(C(=O)N(C)C)CCOCC3)c2)cc1
InChIInChI=1S/C25H28FN3O3/c1-18-27-10-11-29(18)22-6-4-19(5-7-22)17-32-23-15-20(14-21(26)16-23)25(24(30)28(2)3)8-12-31-13-9-25/h4-7,10-11,14-16H,8-9,12-13,17H2,1-3H3
InChIKeyIPCQBIDHAOVNPK-UHFFFAOYSA-N
XLogP4.04
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.04
H-Bond Donors ≤ 50
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,N-dimethyloxane-4-carboxamide?
The IUPAC name of 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N,N-dimethyloxane-4-carboxamide (CID 11774961) is 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N,N-dimethyloxane-4-carboxamide.
What is the SMILES notation for 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N,N-dimethyloxane-4-carboxamide?
The canonical SMILES for 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N,N-dimethyloxane-4-carboxamide is Cc1nccn1-c1ccc(COc2cc(F)cc(C3(C(=O)N(C)C)CCOCC3)c2)cc1.
What is the InChIKey of 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N,N-dimethyloxane-4-carboxamide?
The InChIKey is IPCQBIDHAOVNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-18-27-10-11-29(18)22-6-4-19(5-7-22)17-32-23-15-20(14-21(26)16-23)25(24(30)28(2)3)8-12-31-13-9-25/h4-7,10-11,14-16H,8-9,12-13,17H2,1-3H3.
What are the key properties of 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N,N-dimethyloxane-4-carboxamide?
4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]-N,N-dimethyloxane-4-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 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,N-dimethyloxane-4-carboxamide is sourced from PubChem (CID 11774961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).