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

C17H21FN2O3 — CID 111475579

IUPAC1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C17H21FN2O3/c1-11(8-12(2)21)10-19-17(22)20-15-9-13(5-6-14(15)18)16-4-3-7-23-16/h3-7,9,11-12,21H,8,10H2,1-2H3,(H2,19,20,22)
InChIKeyPEHPMOOMOKQIOY-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.61
Rot. Bonds6

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

1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea (PubChem CID 111475579) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea
PubChem CID111475579
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C17H21FN2O3/c1-11(8-12(2)21)10-19-17(22)20-15-9-13(5-6-14(15)18)16-4-3-7-23-16/h3-7,9,11-12,21H,8,10H2,1-2H3,(H2,19,20,22)
InChIKeyPEHPMOOMOKQIOY-UHFFFAOYSA-N
XLogP3.61
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99856240
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111475578
1-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452669
3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea
CID 100625980
N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491156
methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate
CID 78879195
N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide
CID 111447853
5-chloro-N-[2-fluoro-5-(furan-2-yl)phenyl]furan-2-carboxamide
CID 100626853

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea?
The IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea (CID 111475579) is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea.
What is the SMILES notation for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea?
The canonical SMILES for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea is CC(O)CC(C)CNC(=O)Nc1cc(-c2ccco2)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea?
The InChIKey is PEHPMOOMOKQIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11(8-12(2)21)10-19-17(22)20-15-9-13(5-6-14(15)18)16-4-3-7-23-16/h3-7,9,11-12,21H,8,10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea?
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea has a molecular weight of 320.36 g/mol, XLogP of 3.61, 6 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-(4-hydroxy-2-methylpentyl)urea is sourced from PubChem (CID 111475579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).