1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one

C19H17NO3 — CID 855038

IUPAC1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one
SMILESO=C(CCNc1ccc(Oc2ccccc2)cc1)c1ccco1
InChIInChI=1S/C19H17NO3/c21-18(19-7-4-14-22-19)12-13-20-15-8-10-17(11-9-15)23-16-5-2-1-3-6-16/h1-11,14,20H,12-13H2
InChIKeyMALVCAKEICAXCK-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.76
Rot. Bonds7

About 1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one

1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one (PubChem CID 855038) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one
PubChem CID855038
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one
SMILESO=C(CCNc1ccc(Oc2ccccc2)cc1)c1ccco1
InChIInChI=1S/C19H17NO3/c21-18(19-7-4-14-22-19)12-13-20-15-8-10-17(11-9-15)23-16-5-2-1-3-6-16/h1-11,14,20H,12-13H2
InChIKeyMALVCAKEICAXCK-UHFFFAOYSA-N
XLogP4.76
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one?
The IUPAC name of 1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one (CID 855038) is 1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one is O=C(CCNc1ccc(Oc2ccccc2)cc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one?
The InChIKey is MALVCAKEICAXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-18(19-7-4-14-22-19)12-13-20-15-8-10-17(11-9-15)23-16-5-2-1-3-6-16/h1-11,14,20H,12-13H2.
What are the key properties of 1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one?
1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one has a molecular weight of 307.35 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one is sourced from PubChem (CID 855038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).