1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea

C13H19FN2O2 — CID 110774555

IUPAC1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-8(2)15-13(17)16-10-5-6-12(11(14)7-10)18-9(3)4/h5-9H,1-4H3,(H2,15,16,17)
InChIKeyFOJJPQZWDNXYKZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.14
Rot. Bonds4

About 1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea

1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea (PubChem CID 110774555) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
PubChem CID110774555
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-8(2)15-13(17)16-10-5-6-12(11(14)7-10)18-9(3)4/h5-9H,1-4H3,(H2,15,16,17)
InChIKeyFOJJPQZWDNXYKZ-UHFFFAOYSA-N
XLogP3.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide
CID 110792846
(2S,3R)-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965870
2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196743
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide
CID 110777486
1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 71991952
N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide
CID 51085552

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea (CID 110774555) is 1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(OC(C)C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea?
The InChIKey is FOJJPQZWDNXYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-8(2)15-13(17)16-10-5-6-12(11(14)7-10)18-9(3)4/h5-9H,1-4H3,(H2,15,16,17).
What are the key properties of 1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea?
1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea has a molecular weight of 254.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea is sourced from PubChem (CID 110774555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).