1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea

C14H11ClF2N2O2 — CID 108885219

IUPAC1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea
SMILESO=C(NCOc1ccc(Cl)cc1)Nc1c(F)cccc1F
InChIInChI=1S/C14H11ClF2N2O2/c15-9-4-6-10(7-5-9)21-8-18-14(20)19-13-11(16)2-1-3-12(13)17/h1-7H,8H2,(H2,18,19,20)
InChIKeyUNJDGSMEJLQJIX-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.78
Rot. Bonds4

About 1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea

1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea (PubChem CID 108885219) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea
PubChem CID108885219
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea
SMILESO=C(NCOc1ccc(Cl)cc1)Nc1c(F)cccc1F
InChIInChI=1S/C14H11ClF2N2O2/c15-9-4-6-10(7-5-9)21-8-18-14(20)19-13-11(16)2-1-3-12(13)17/h1-7H,8H2,(H2,18,19,20)
InChIKeyUNJDGSMEJLQJIX-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.78
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-(2,6-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893321
1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea
CID 108885167
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
1-[(4-chlorophenoxy)methyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108885341
(4-chlorophenoxy)methylcarbamothioic S-acid
CID 88825777
1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea
CID 108874314
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-(2,6-difluorophenyl)urea
CID 112977247
2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
CID 60662333
1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108885405
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 55416666
1-[(2-tert-butyl-4-methylphenoxy)methyl]-3-(2,6-difluorophenyl)urea
CID 108877630
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea?
The IUPAC name of 1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea (CID 108885219) is 1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea.
What is the SMILES notation for 1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea?
The canonical SMILES for 1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea is O=C(NCOc1ccc(Cl)cc1)Nc1c(F)cccc1F.
What is the InChIKey of 1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea?
The InChIKey is UNJDGSMEJLQJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-9-4-6-10(7-5-9)21-8-18-14(20)19-13-11(16)2-1-3-12(13)17/h1-7H,8H2,(H2,18,19,20).
What are the key properties of 1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea?
1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea has a molecular weight of 312.70 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenoxy)methyl]-3-(2,6-difluorophenyl)urea is sourced from PubChem (CID 108885219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).