1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea

C19H23FN2O — CID 113213383

IUPAC1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea
SMILESCCN(C(=O)NCC(C)(C)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H23FN2O/c1-4-22(17-8-6-5-7-9-17)18(23)21-14-19(2,3)15-10-12-16(20)13-11-15/h5-13H,4,14H2,1-3H3,(H,21,23)
InChIKeyJXPRAWMZUUDDGJ-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.34
Rot. Bonds5

About 1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea

1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea (PubChem CID 113213383) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea
PubChem CID113213383
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea
SMILESCCN(C(=O)NCC(C)(C)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H23FN2O/c1-4-22(17-8-6-5-7-9-17)18(23)21-14-19(2,3)15-10-12-16(20)13-11-15/h5-13H,4,14H2,1-3H3,(H,21,23)
InChIKeyJXPRAWMZUUDDGJ-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
CID 110459934
2-[[[ethyl-(4-fluorophenyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65222194
3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
CID 113213255
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-oxo-4-phenylbut-3-enamide
CID 77225367
(E)-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-oxo-4-phenylbut-3-enamide
CID 67097750
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-phenylurea
CID 108882781
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
CID 108518654
3-chloro-1-ethyl-1-(4-fluorophenyl)urea
CID 87646855
1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
CID 113213370
1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea
CID 113214197

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea?
The IUPAC name of 1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea (CID 113213383) is 1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea.
What is the SMILES notation for 1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea?
The canonical SMILES for 1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea is CCN(C(=O)NCC(C)(C)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea?
The InChIKey is JXPRAWMZUUDDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-4-22(17-8-6-5-7-9-17)18(23)21-14-19(2,3)15-10-12-16(20)13-11-15/h5-13H,4,14H2,1-3H3,(H,21,23).
What are the key properties of 1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea?
1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea has a molecular weight of 314.40 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea is sourced from PubChem (CID 113213383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).