N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide

C17H19FN2O2 — CID 71878315

IUPACN-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)c(-n3cccc3)c2)CCOCC1
InChIInChI=1S/C17H19FN2O2/c1-17(6-10-22-11-7-17)16(21)19-13-4-5-14(18)15(12-13)20-8-2-3-9-20/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,19,21)
InChIKeyBFWZRROXICFQGO-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.37
Rot. Bonds3

About N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide

N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide (PubChem CID 71878315) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide
PubChem CID71878315
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)c(-n3cccc3)c2)CCOCC1
InChIInChI=1S/C17H19FN2O2/c1-17(6-10-22-11-7-17)16(21)19-13-4-5-14(18)15(12-13)20-8-2-3-9-20/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,19,21)
InChIKeyBFWZRROXICFQGO-UHFFFAOYSA-N
XLogP3.37
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide?
The IUPAC name of N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide (CID 71878315) is N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide?
The canonical SMILES for N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide is CC1(C(=O)Nc2ccc(F)c(-n3cccc3)c2)CCOCC1.
What is the InChIKey of N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide?
The InChIKey is BFWZRROXICFQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-17(6-10-22-11-7-17)16(21)19-13-4-5-14(18)15(12-13)20-8-2-3-9-20/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,19,21).
What are the key properties of N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide?
N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide is sourced from PubChem (CID 71878315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).