1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea

C19H13Cl2F3N2O3 — CID 71718130

IUPAC1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl2F3N2O3/c20-12-4-6-16(14(21)9-12)29-17-5-3-11(19(22,23)24)8-15(17)26-18(27)25-10-13-2-1-7-28-13/h1-9H,10H2,(H2,25,26,27)
InChIKeyVDXSIOSVWWVMTO-UHFFFAOYSA-N
MW445.22 g/mol
LogP6.72
Rot. Bonds5

About 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea

1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea (PubChem CID 71718130) has the molecular formula C19H13Cl2F3N2O3 and a molecular weight of 445.22 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea
PubChem CID71718130
Molecular FormulaC19H13Cl2F3N2O3
Molecular Weight445.22 g/mol
Exact Mass444.03
IUPAC Name1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl2F3N2O3/c20-12-4-6-16(14(21)9-12)29-17-5-3-11(19(22,23)24)8-15(17)26-18(27)25-10-13-2-1-7-28-13/h1-9H,10H2,(H2,25,26,27)
InChIKeyVDXSIOSVWWVMTO-UHFFFAOYSA-N
XLogP6.72
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.22
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
CID 71718727
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 71718728
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
CID 71552865
1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 51082774
1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea
CID 17312760
1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605306
N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 132814466
1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109155350
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209570
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea (CID 71718130) is 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea is O=C(NCc1ccco1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is VDXSIOSVWWVMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F3N2O3/c20-12-4-6-16(14(21)9-12)29-17-5-3-11(19(22,23)24)8-15(17)26-18(27)25-10-13-2-1-7-28-13/h1-9H,10H2,(H2,25,26,27).
What are the key properties of 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea?
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 445.22 g/mol, XLogP of 6.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 71718130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).