1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea

C15H15FN2O2 — CID 110774465

IUPAC1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
SMILESCOc1ccc(F)cc1NC(=O)NCc1ccccc1
InChIInChI=1S/C15H15FN2O2/c1-20-14-8-7-12(16)9-13(14)18-15(19)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyQLDJBLDXERXSSM-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.16
Rot. Bonds4

About 1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea

1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea (PubChem CID 110774465) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
PubChem CID110774465
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
SMILESCOc1ccc(F)cc1NC(=O)NCc1ccccc1
InChIInChI=1S/C15H15FN2O2/c1-20-14-8-7-12(16)9-13(14)18-15(19)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyQLDJBLDXERXSSM-UHFFFAOYSA-N
XLogP3.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-(5-amino-2-methoxyphenyl)-3-benzylurea
CID 107652897
1-benzyl-3-(3-methoxy-2-methylphenyl)urea
CID 2823230
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 108898583
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 51579250
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea?
The IUPAC name of 1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea (CID 110774465) is 1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea?
The canonical SMILES for 1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea is COc1ccc(F)cc1NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea?
The InChIKey is QLDJBLDXERXSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-20-14-8-7-12(16)9-13(14)18-15(19)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea?
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea has a molecular weight of 274.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea is sourced from PubChem (CID 110774465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).