1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea

C13H17F3N2O2 — CID 60586531

IUPAC1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)NC(C)C
InChIInChI=1S/C13H17F3N2O2/c1-4-20-11-6-5-9(13(14,15)16)7-10(11)18-12(19)17-8(2)3/h5-8H,4H2,1-3H3,(H2,17,18,19)
InChIKeyGDLHAHSRTXASCY-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.63
Rot. Bonds4

About 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea

1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea (PubChem CID 60586531) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
PubChem CID60586531
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)NC(C)C
InChIInChI=1S/C13H17F3N2O2/c1-4-20-11-6-5-9(13(14,15)16)7-10(11)18-12(19)17-8(2)3/h5-8H,4H2,1-3H3,(H2,17,18,19)
InChIKeyGDLHAHSRTXASCY-UHFFFAOYSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97435717
2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49280392
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47749828
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111474249
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 78777880
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 1051988
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide
CID 1232472
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 112765286
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119744029

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea (CID 60586531) is 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea is CCOc1ccc(C(F)(F)F)cc1NC(=O)NC(C)C.
What is the InChIKey of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea?
The InChIKey is GDLHAHSRTXASCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-4-20-11-6-5-9(13(14,15)16)7-10(11)18-12(19)17-8(2)3/h5-8H,4H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea?
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea has a molecular weight of 290.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 60586531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).