1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea

C16H16F2N2O2 — CID 112969888

IUPAC1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1ccccc1OCCNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O2/c1-11-4-2-3-5-15(11)22-9-8-19-16(21)20-14-7-6-12(17)10-13(14)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyWLVQSVNEPBBJLO-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.47
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea

1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea (PubChem CID 112969888) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
PubChem CID112969888
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1ccccc1OCCNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O2/c1-11-4-2-3-5-15(11)22-9-8-19-16(21)20-14-7-6-12(17)10-13(14)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyWLVQSVNEPBBJLO-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.47
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-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112976139
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755
N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide
CID 72873722
1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970298
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea
CID 112972799
1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea
CID 112971370
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457941
1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883820
1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 46457511

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea (CID 112969888) is 1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea is Cc1ccccc1OCCNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
The InChIKey is WLVQSVNEPBBJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-11-4-2-3-5-15(11)22-9-8-19-16(21)20-14-7-6-12(17)10-13(14)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea has a molecular weight of 306.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112969888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).