1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea

C19H23FN2O2 — CID 33403769

IUPAC1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
SMILESCN(Cc1ccccc1)C(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-22(15-16-7-3-2-4-8-16)19(23)21-13-5-6-14-24-18-11-9-17(20)10-12-18/h2-4,7-12H,5-6,13-15H2,1H3,(H,21,23)
InChIKeyOTZATCNQJVAVOO-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.83
Rot. Bonds8

About 1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea

1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea (PubChem CID 33403769) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea.

Molecular Properties

Compound Name1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
PubChem CID33403769
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
SMILESCN(Cc1ccccc1)C(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-22(15-16-7-3-2-4-8-16)19(23)21-13-5-6-14-24-18-11-9-17(20)10-12-18/h2-4,7-12H,5-6,13-15H2,1H3,(H,21,23)
InChIKeyOTZATCNQJVAVOO-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33402548
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
CID 56787694
1-benzyl-1-methyl-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972527
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea
CID 24612678
3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
CID 56504949
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
1-benzyl-1-methyl-3-(phenoxymethyl)urea
CID 108888867
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
CID 46596303
2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate
CID 7870307
1-benzyl-3-[2-(3-bromophenoxy)ethyl]-1-methylurea
CID 112971158

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea?
The IUPAC name of 1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea (CID 33403769) is 1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea.
What is the SMILES notation for 1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea?
The canonical SMILES for 1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea is CN(Cc1ccccc1)C(=O)NCCCCOc1ccc(F)cc1.
What is the InChIKey of 1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea?
The InChIKey is OTZATCNQJVAVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-22(15-16-7-3-2-4-8-16)19(23)21-13-5-6-14-24-18-11-9-17(20)10-12-18/h2-4,7-12H,5-6,13-15H2,1H3,(H,21,23).
What are the key properties of 1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea?
1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea has a molecular weight of 330.40 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea is sourced from PubChem (CID 33403769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).