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

C15H11Cl2F3N2O2 — CID 2741551

IUPAC1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea
SMILESCOc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11Cl2F3N2O2/c1-24-13-3-8(15(18,19)20)2-11(7-13)21-14(23)22-12-5-9(16)4-10(17)6-12/h2-7H,1H3,(H2,21,22,23)
InChIKeyAHEPYZQEOSAWJU-UHFFFAOYSA-N
MW379.17 g/mol
LogP5.66
Rot. Bonds3

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

1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea (PubChem CID 2741551) has the molecular formula C15H11Cl2F3N2O2 and a molecular weight of 379.17 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea
PubChem CID2741551
Molecular FormulaC15H11Cl2F3N2O2
Molecular Weight379.17 g/mol
Exact Mass378.01
IUPAC Name1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea
SMILESCOc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11Cl2F3N2O2/c1-24-13-3-8(15(18,19)20)2-11(7-13)21-14(23)22-12-5-9(16)4-10(17)6-12/h2-7H,1H3,(H2,21,22,23)
InChIKeyAHEPYZQEOSAWJU-UHFFFAOYSA-N
XLogP5.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.17
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea (CID 2741551) is 1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea is COc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea?
The InChIKey is AHEPYZQEOSAWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O2/c1-24-13-3-8(15(18,19)20)2-11(7-13)21-14(23)22-12-5-9(16)4-10(17)6-12/h2-7H,1H3,(H2,21,22,23).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea?
1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea has a molecular weight of 379.17 g/mol, XLogP of 5.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[3-methoxy-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2741551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).