3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea

C15H15FN2O2 — CID 100625980

IUPAC3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-3-8-18(2)15(19)17-13-10-11(6-7-12(13)16)14-5-4-9-20-14/h3-7,9-10H,1,8H2,2H3,(H,17,19)
InChIKeySNZRFIVKEROTPY-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.74
Rot. Bonds4

About 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea

3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea (PubChem CID 100625980) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea
PubChem CID100625980
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-3-8-18(2)15(19)17-13-10-11(6-7-12(13)16)14-5-4-9-20-14/h3-7,9-10H,1,8H2,2H3,(H,17,19)
InChIKeySNZRFIVKEROTPY-UHFFFAOYSA-N
XLogP3.74
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111926637
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111475577
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 111475557
N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide
CID 166408328
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111475579
5-chloro-N-[2-fluoro-5-(furan-2-yl)phenyl]furan-2-carboxamide
CID 100626853
N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491156
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111475552
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 71864929
2-fluoro-5-(furan-2-yl)-N-methylbenzamide
CID 168525507
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111475578
N-[2-fluoro-5-(furan-2-yl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 111475551

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea?
The IUPAC name of 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea (CID 100625980) is 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea.
What is the SMILES notation for 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea?
The canonical SMILES for 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea is C=CCN(C)C(=O)Nc1cc(-c2ccco2)ccc1F.
What is the InChIKey of 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea?
The InChIKey is SNZRFIVKEROTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-3-8-18(2)15(19)17-13-10-11(6-7-12(13)16)14-5-4-9-20-14/h3-7,9-10H,1,8H2,2H3,(H,17,19).
What are the key properties of 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea?
3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea has a molecular weight of 274.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea is sourced from PubChem (CID 100625980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).