1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea

C19H23FN2O2 — CID 87009755

IUPAC1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-13(2)24-18-12-8-7-11-17(18)21-19(23)22(4)14(3)15-9-5-6-10-16(15)20/h5-14H,1-4H3,(H,21,23)
InChIKeyJHRIGZRPJRLJIU-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.84
Rot. Bonds5

About 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea

1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea (PubChem CID 87009755) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
PubChem CID87009755
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-13(2)24-18-12-8-7-11-17(18)21-19(23)22(4)14(3)15-9-5-6-10-16(15)20/h5-14H,1-4H3,(H,21,23)
InChIKeyJHRIGZRPJRLJIU-UHFFFAOYSA-N
XLogP4.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide
CID 55817029
1-[1-(2-chlorophenyl)ethyl]-3-(2,3-difluorophenyl)-1-methylurea
CID 86856226
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
CID 87010594
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
CID 55816833
1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 108990816
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874
(2S)-2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 62985653
N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108987352
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605
3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 42930015

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea (CID 87009755) is 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea is CC(C)Oc1ccccc1NC(=O)N(C)C(C)c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea?
The InChIKey is JHRIGZRPJRLJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-13(2)24-18-12-8-7-11-17(18)21-19(23)22(4)14(3)15-9-5-6-10-16(15)20/h5-14H,1-4H3,(H,21,23).
What are the key properties of 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea?
1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea has a molecular weight of 330.40 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 87009755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).