1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea

C14H13F3N2O3 — CID 51082774

IUPAC1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccco2)c(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O3/c1-21-9-4-5-12(11(7-9)14(15,16)17)19-13(20)18-8-10-3-2-6-22-10/h2-7H,8H2,1H3,(H2,18,19,20)
InChIKeyVLZNKUCRCSVESU-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.63
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea

1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea (PubChem CID 51082774) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
PubChem CID51082774
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccco2)c(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O3/c1-21-9-4-5-12(11(7-9)14(15,16)17)19-13(20)18-8-10-3-2-6-22-10/h2-7H,8H2,1H3,(H2,18,19,20)
InChIKeyVLZNKUCRCSVESU-UHFFFAOYSA-N
XLogP3.63
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 47223994
1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea
CID 124596181
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281
1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605304
2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86847008
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023
4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046619
3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid
CID 61189153
4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide
CID 79200697

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea (CID 51082774) is 1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea is COc1ccc(NC(=O)NCc2ccco2)c(C(F)(F)F)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea?
The InChIKey is VLZNKUCRCSVESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-21-9-4-5-12(11(7-9)14(15,16)17)19-13(20)18-8-10-3-2-6-22-10/h2-7H,8H2,1H3,(H2,18,19,20).
What are the key properties of 1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea?
1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea has a molecular weight of 314.26 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 51082774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).