1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea

C19H23FN2O2 — CID 47072864

IUPAC1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea
SMILESCOCCCCN(Cc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-24-14-8-7-13-22(15-16-9-3-2-4-10-16)19(23)21-18-12-6-5-11-17(18)20/h2-6,9-12H,7-8,13-15H2,1H3,(H,21,23)
InChIKeyKTYKKFJQTFMKHP-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.29
Rot. Bonds8

About 1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea

1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea (PubChem CID 47072864) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea
PubChem CID47072864
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea
SMILESCOCCCCN(Cc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-24-14-8-7-13-22(15-16-9-3-2-4-10-16)19(23)21-18-12-6-5-11-17(18)20/h2-6,9-12H,7-8,13-15H2,1H3,(H,21,23)
InChIKeyKTYKKFJQTFMKHP-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)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-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea
CID 47489067
1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea
CID 61014414
1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 86987084
1-benzyl-1-(4-methoxybutyl)-3-(4-propan-2-ylphenyl)urea
CID 60582881
1-benzyl-1-(4-methoxybutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47490280
[4-[[butyl-[(2-fluorophenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 3929738
1-benzyl-3-[8-(difluoromethoxy)quinolin-5-yl]-1-(4-methoxybutyl)urea
CID 60582989
1-benzyl-1-(4-methoxybutyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 60583091
2-[(2-fluorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4221802
methyl 3-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoate
CID 42697996
1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
CID 47070305
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 86931400

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea?
The IUPAC name of 1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea (CID 47072864) is 1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea?
The canonical SMILES for 1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea is COCCCCN(Cc1ccccc1)C(=O)Nc1ccccc1F.
What is the InChIKey of 1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea?
The InChIKey is KTYKKFJQTFMKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-24-14-8-7-13-22(15-16-9-3-2-4-10-16)19(23)21-18-12-6-5-11-17(18)20/h2-6,9-12H,7-8,13-15H2,1H3,(H,21,23).
What are the key properties of 1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea?
1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea has a molecular weight of 330.40 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea is sourced from PubChem (CID 47072864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).