1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea

C18H23FN2O3 — CID 111475552

IUPAC1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
SMILESCC(C)(CO)CCCNC(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C18H23FN2O3/c1-18(2,12-22)8-4-9-20-17(23)21-15-11-13(6-7-14(15)19)16-5-3-10-24-16/h3,5-7,10-11,22H,4,8-9,12H2,1-2H3,(H2,20,21,23)
InChIKeyZAOJTRKBMSOHKA-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.01
Rot. Bonds7

About 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea

1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea (PubChem CID 111475552) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
PubChem CID111475552
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
SMILESCC(C)(CO)CCCNC(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C18H23FN2O3/c1-18(2,12-22)8-4-9-20-17(23)21-15-11-13(6-7-14(15)19)16-5-3-10-24-16/h3,5-7,10-11,22H,4,8-9,12H2,1-2H3,(H2,20,21,23)
InChIKeyZAOJTRKBMSOHKA-UHFFFAOYSA-N
XLogP4.01
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111475577
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-(4-hydroxy-2-methylpentyl)urea
CID 111475579
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 111475557
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111475578
1-(2,5-dichlorophenyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111472690
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 71864929
3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111926637
1-(5-hydroxy-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 111472686
3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea
CID 100625980
1-(5-hydroxy-4,4-dimethylpentyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111474849
1-(3-fluoro-4-methoxyphenyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111473785

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea?
The IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea (CID 111475552) is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea.
What is the SMILES notation for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea?
The canonical SMILES for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea is CC(C)(CO)CCCNC(=O)Nc1cc(-c2ccco2)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea?
The InChIKey is ZAOJTRKBMSOHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-18(2,12-22)8-4-9-20-17(23)21-15-11-13(6-7-14(15)19)16-5-3-10-24-16/h3,5-7,10-11,22H,4,8-9,12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea?
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea has a molecular weight of 334.39 g/mol, XLogP of 4.01, 7 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-(5-hydroxy-4,4-dimethylpentyl)urea is sourced from PubChem (CID 111475552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).