1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea

C16H16F2N2O2 — CID 108893476

IUPAC1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
SMILESCCc1ccccc1OCNC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2O2/c1-2-11-5-3-4-6-15(11)22-10-19-16(21)20-14-9-12(17)7-8-13(14)18/h3-9H,2,10H2,1H3,(H2,19,20,21)
InChIKeyJEFVAVAFLAOVOT-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.69
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea

1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea (PubChem CID 108893476) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
PubChem CID108893476
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
SMILESCCc1ccccc1OCNC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2O2/c1-2-11-5-3-4-6-15(11)22-10-19-16(21)20-14-9-12(17)7-8-13(14)18/h3-9H,2,10H2,1H3,(H2,19,20,21)
InChIKeyJEFVAVAFLAOVOT-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea
CID 108893435
1-[(2-ethylphenoxy)methyl]-3-(4-fluorophenyl)urea
CID 108893256
1-(2,6-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893321
1-(2,5-difluorophenyl)-3-(2-ethylphenyl)urea
CID 6465020
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317
1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108893308
1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893462
1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 108877405
1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112971807
1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea
CID 108893373
1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea
CID 108878458
1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 108893258

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea (CID 108893476) is 1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea is CCc1ccccc1OCNC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea?
The InChIKey is JEFVAVAFLAOVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-2-11-5-3-4-6-15(11)22-10-19-16(21)20-14-9-12(17)7-8-13(14)18/h3-9H,2,10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea?
1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea has a molecular weight of 306.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea is sourced from PubChem (CID 108893476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).