1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea

C15H23FN2O — CID 110607188

IUPAC1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCCCCc1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-12(2)11-18-15(19)17-10-6-5-8-13-7-3-4-9-14(13)16/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3,(H2,17,18,19)
InChIKeyQOIOCQICHDSMCW-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.10
Rot. Bonds7

About 1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea

1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea (PubChem CID 110607188) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea
PubChem CID110607188
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCCCCc1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-12(2)11-18-15(19)17-10-6-5-8-13-7-3-4-9-14(13)16/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3,(H2,17,18,19)
InChIKeyQOIOCQICHDSMCW-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)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-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119522
methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate
CID 60591384
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
N-(3-aminopropyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119405746
3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109609
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
CID 110609858
1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea
CID 111508672
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 4222728
N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110620398
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 36512499

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea (CID 110607188) is 1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)NCCCCc1ccccc1F.
What is the InChIKey of 1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea?
The InChIKey is QOIOCQICHDSMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12(2)11-18-15(19)17-10-6-5-8-13-7-3-4-9-14(13)16/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea?
1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea has a molecular weight of 266.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 110607188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).