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

C19H22F2N2O2 — CID 112972799

IUPAC1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea
SMILESCC(C)(C)c1cccc(OCCNC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H22F2N2O2/c1-19(2,3)13-5-4-6-15(11-13)25-10-9-22-18(24)23-17-8-7-14(20)12-16(17)21/h4-8,11-12H,9-10H2,1-3H3,(H2,22,23,24)
InChIKeyBTPGZOYPGYASPP-UHFFFAOYSA-N
MW348.39 g/mol
LogP4.46
Rot. Bonds5

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

1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea (PubChem CID 112972799) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea
PubChem CID112972799
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea
SMILESCC(C)(C)c1cccc(OCCNC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H22F2N2O2/c1-19(2,3)13-5-4-6-15(11-13)25-10-9-22-18(24)23-17-8-7-14(20)12-16(17)21/h4-8,11-12H,9-10H2,1-3H3,(H2,22,23,24)
InChIKeyBTPGZOYPGYASPP-UHFFFAOYSA-N
XLogP4.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 54.46
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-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972760
1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea
CID 112971370
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112972756
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 112972775
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-(4-bromo-2-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970416
1-[2-(3-tert-butylphenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 112972777
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea
CID 112972774
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
1-(2-cyano-4-fluorophenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 78838970
1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea
CID 112971923
1-[2-(3-tert-butylphenoxy)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 111174535

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea (CID 112972799) is 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea is CC(C)(C)c1cccc(OCCNC(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea?
The InChIKey is BTPGZOYPGYASPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-19(2,3)13-5-4-6-15(11-13)25-10-9-22-18(24)23-17-8-7-14(20)12-16(17)21/h4-8,11-12H,9-10H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea?
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea has a molecular weight of 348.39 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 112972799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).