1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea

C16H15F3N2O3 — CID 971869

IUPAC1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1
InChIInChI=1S/C16H15F3N2O3/c1-23-13-7-12(8-14(9-13)24-2)21-15(22)20-11-5-3-4-10(6-11)16(17,18)19/h3-9H,1-2H3,(H2,20,21,22)
InChIKeyAIYRXDJVRDLERK-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.37
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 971869) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID971869
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1
InChIInChI=1S/C16H15F3N2O3/c1-23-13-7-12(8-14(9-13)24-2)21-15(22)20-11-5-3-4-10(6-11)16(17,18)19/h3-9H,1-2H3,(H2,20,21,22)
InChIKeyAIYRXDJVRDLERK-UHFFFAOYSA-N
XLogP4.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-(3-chloro-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2632843
1-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 976911
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 69054016
1-(2,6-dimethoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2741388
1-[2-(4-methoxyphenyl)-2-methylpropyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 113213647
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 970411
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 10110546
1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 2814321
1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122183073

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 971869) is 1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea is COc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is AIYRXDJVRDLERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-23-13-7-12(8-14(9-13)24-2)21-15(22)20-11-5-3-4-10(6-11)16(17,18)19/h3-9H,1-2H3,(H2,20,21,22).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 340.30 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 971869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).