1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea

C14H11ClF2N2O2 — CID 172732018

IUPAC1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
SMILESCOc1cc(F)cc(NC(=O)Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C14H11ClF2N2O2/c1-21-13-6-10(17)5-12(7-13)19-14(20)18-11-3-8(15)2-9(16)4-11/h2-7H,1H3,(H2,18,19,20)
InChIKeyHXQHDRPITYVJSI-UHFFFAOYSA-N
MW312.70 g/mol
LogP4.27
Rot. Bonds3

About 1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea

1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea (PubChem CID 172732018) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
PubChem CID172732018
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
SMILESCOc1cc(F)cc(NC(=O)Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C14H11ClF2N2O2/c1-21-13-6-10(17)5-12(7-13)19-14(20)18-11-3-8(15)2-9(16)4-11/h2-7H,1H3,(H2,18,19,20)
InChIKeyHXQHDRPITYVJSI-UHFFFAOYSA-N
XLogP4.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea (CID 172732018) is 1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea is COc1cc(F)cc(NC(=O)Nc2cc(F)cc(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea?
The InChIKey is HXQHDRPITYVJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c1-21-13-6-10(17)5-12(7-13)19-14(20)18-11-3-8(15)2-9(16)4-11/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea?
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea has a molecular weight of 312.70 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea is sourced from PubChem (CID 172732018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).