1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea

C17H18F2N2O2 — CID 112976139

IUPAC1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCCOc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O2/c1-12-4-2-3-5-13(12)11-21-17(22)20-8-9-23-16-7-6-14(18)10-15(16)19/h2-7,10H,8-9,11H2,1H3,(H2,20,21,22)
InChIKeyMOXRVFRGGMQYCE-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.15
Rot. Bonds6

About 1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea

1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 112976139) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID112976139
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCCOc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O2/c1-12-4-2-3-5-13(12)11-21-17(22)20-8-9-23-16-7-6-14(18)10-15(16)19/h2-7,10H,8-9,11H2,1H3,(H2,20,21,22)
InChIKeyMOXRVFRGGMQYCE-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea
CID 111337429
1-[(2-methylphenyl)methyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974267
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112976199
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
1-[(2-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974424
1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 35646115
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112971837
1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108877424
1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458080
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea (CID 112976139) is 1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)NCCOc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is MOXRVFRGGMQYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-12-4-2-3-5-13(12)11-21-17(22)20-8-9-23-16-7-6-14(18)10-15(16)19/h2-7,10H,8-9,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea?
1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 320.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 112976139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).