1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea

C15H17FN2O3 — CID 111475557

IUPAC1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C15H17FN2O3/c1-2-11(9-19)17-15(20)18-13-8-10(5-6-12(13)16)14-4-3-7-21-14/h3-8,11,19H,2,9H2,1H3,(H2,17,18,20)
InChIKeyHKVCWOILJIAFNS-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.98
Rot. Bonds5

About 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea

1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 111475557) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID111475557
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C15H17FN2O3/c1-2-11(9-19)17-15(20)18-13-8-10(5-6-12(13)16)14-4-3-7-21-14/h3-8,11,19H,2,9H2,1H3,(H2,17,18,20)
InChIKeyHKVCWOILJIAFNS-UHFFFAOYSA-N
XLogP2.98
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea (CID 111475557) is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)Nc1cc(-c2ccco2)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is HKVCWOILJIAFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-2-11(9-19)17-15(20)18-13-8-10(5-6-12(13)16)14-4-3-7-21-14/h3-8,11,19H,2,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea?
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 292.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 111475557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).