3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide

C23H24FN3O3 — CID 67576993

IUPAC3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide
SMILESCc1nccn1-c1ccc(COC2C(C(N)=O)CCOC2c2ccccc2)cc1F
InChIInChI=1S/C23H24FN3O3/c1-15-26-10-11-27(15)20-8-7-16(13-19(20)24)14-30-22-18(23(25)28)9-12-29-21(22)17-5-3-2-4-6-17/h2-8,10-11,13,18,21-22H,9,12,14H2,1H3,(H2,25,28)
InChIKeyRNTPBIXCSAUFRM-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.47
Rot. Bonds6

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

3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide (PubChem CID 67576993) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide.

Molecular Properties

Compound Name3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide
PubChem CID67576993
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide
SMILESCc1nccn1-c1ccc(COC2C(C(N)=O)CCOC2c2ccccc2)cc1F
InChIInChI=1S/C23H24FN3O3/c1-15-26-10-11-27(15)20-8-7-16(13-19(20)24)14-30-22-18(23(25)28)9-12-29-21(22)17-5-3-2-4-6-17/h2-8,10-11,13,18,21-22H,9,12,14H2,1H3,(H2,25,28)
InChIKeyRNTPBIXCSAUFRM-UHFFFAOYSA-N
XLogP3.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide?
The IUPAC name of 3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide (CID 67576993) is 3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide.
What is the SMILES notation for 3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide?
The canonical SMILES for 3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide is Cc1nccn1-c1ccc(COC2C(C(N)=O)CCOC2c2ccccc2)cc1F.
What is the InChIKey of 3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide?
The InChIKey is RNTPBIXCSAUFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-15-26-10-11-27(15)20-8-7-16(13-19(20)24)14-30-22-18(23(25)28)9-12-29-21(22)17-5-3-2-4-6-17/h2-8,10-11,13,18,21-22H,9,12,14H2,1H3,(H2,25,28).
What are the key properties of 3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide?
3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methoxy]-2-phenyloxane-4-carboxamide is sourced from PubChem (CID 67576993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).