1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea

C14H8ClF5N2O — CID 90751133

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea
SMILESNC(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(F)c1F
InChIInChI=1S/C14H8ClF5N2O/c15-9-5-4-7(6-8(9)14(18,19)20)22(13(21)23)11-3-1-2-10(16)12(11)17/h1-6H,(H2,21,23)
InChIKeyRNTADSNEZXUPPG-UHFFFAOYSA-N
MW350.67 g/mol
LogP4.85
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea (PubChem CID 90751133) has the molecular formula C14H8ClF5N2O and a molecular weight of 350.67 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea
PubChem CID90751133
Molecular FormulaC14H8ClF5N2O
Molecular Weight350.67 g/mol
Exact Mass350.02
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea
SMILESNC(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(F)c1F
InChIInChI=1S/C14H8ClF5N2O/c15-9-5-4-7(6-8(9)14(18,19)20)22(13(21)23)11-3-1-2-10(16)12(11)17/h1-6H,(H2,21,23)
InChIKeyRNTADSNEZXUPPG-UHFFFAOYSA-N
XLogP4.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.67
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea (CID 90751133) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea is NC(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(F)c1F.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea?
The InChIKey is RNTADSNEZXUPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5N2O/c15-9-5-4-7(6-8(9)14(18,19)20)22(13(21)23)11-3-1-2-10(16)12(11)17/h1-6H,(H2,21,23).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea has a molecular weight of 350.67 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea is sourced from PubChem (CID 90751133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).