1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea

C16H17FN2O2 — CID 108893435

IUPAC1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea
SMILESCCc1ccccc1OCNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H17FN2O2/c1-2-12-6-3-4-9-15(12)21-11-18-16(20)19-14-8-5-7-13(17)10-14/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyPJNYSCQJZJQFOV-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.55
Rot. Bonds5

About 1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea

1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea (PubChem CID 108893435) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea
PubChem CID108893435
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea
SMILESCCc1ccccc1OCNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H17FN2O2/c1-2-12-6-3-4-9-15(12)21-11-18-16(20)19-14-8-5-7-13(17)10-14/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyPJNYSCQJZJQFOV-UHFFFAOYSA-N
XLogP3.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.55
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-(4-fluorophenyl)urea
CID 108893256
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317
1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893476
1-(2,6-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893321
1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea
CID 108893373
1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108893308
1-(4-chloro-3-nitrophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893257
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893462
1-[2-(2-chlorophenoxy)ethyl]-3-(3-fluorophenyl)urea
CID 112970688
1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 62951380
1-(2-chloroethyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893263

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea (CID 108893435) is 1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea is CCc1ccccc1OCNC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea?
The InChIKey is PJNYSCQJZJQFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-12-6-3-4-9-15(12)21-11-18-16(20)19-14-8-5-7-13(17)10-14/h3-10H,2,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea?
1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea has a molecular weight of 288.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 108893435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).