1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea

C18H20F2N2O2 — CID 112974535

IUPAC1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
SMILESCc1cc(C)c(OCCNC(=O)Nc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C18H20F2N2O2/c1-11-8-13(3)17(9-12(11)2)24-7-6-21-18(23)22-14-4-5-15(19)16(20)10-14/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23)
InChIKeyHDWNMMHDYLNLQR-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.09
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea

1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea (PubChem CID 112974535) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
PubChem CID112974535
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
SMILESCc1cc(C)c(OCCNC(=O)Nc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C18H20F2N2O2/c1-11-8-13(3)17(9-12(11)2)24-7-6-21-18(23)22-14-4-5-15(19)16(20)10-14/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23)
InChIKeyHDWNMMHDYLNLQR-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.09
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-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974475
N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112974507
1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972335
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005
1-(4-chlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973699
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976610
1-(3-chloro-4-fluorophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975360
1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112974155
1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976389
1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974484
N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide
CID 72873722
1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973708

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea (CID 112974535) is 1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea is Cc1cc(C)c(OCCNC(=O)Nc2ccc(F)c(F)c2)cc1C.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The InChIKey is HDWNMMHDYLNLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-11-8-13(3)17(9-12(11)2)24-7-6-21-18(23)22-14-4-5-15(19)16(20)10-14/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea has a molecular weight of 334.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).