1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea

C16H15F3N2O2 — CID 878376

IUPAC1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCOc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O2/c1-2-23-14-8-4-7-13(10-14)21-15(22)20-12-6-3-5-11(9-12)16(17,18)19/h3-10H,2H2,1H3,(H2,20,21,22)
InChIKeyRAUIXEBFSFZARB-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.75
Rot. Bonds4

About 1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 878376) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID878376
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCOc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O2/c1-2-23-14-8-4-7-13(10-14)21-15(22)20-12-6-3-5-11(9-12)16(17,18)19/h3-10H,2H2,1H3,(H2,20,21,22)
InChIKeyRAUIXEBFSFZARB-UHFFFAOYSA-N
XLogP4.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710
3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639289
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518
N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 5163768
N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87027979
N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
CID 1371534
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
CID 18870141

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 878376) is 1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea is CCOc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is RAUIXEBFSFZARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-2-23-14-8-4-7-13(10-14)21-15(22)20-12-6-3-5-11(9-12)16(17,18)19/h3-10H,2H2,1H3,(H2,20,21,22).
What are the key properties of 1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 324.30 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 878376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).