1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea

C16H15ClF2N2O2 — CID 11617063

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15ClF2N2O2/c17-12-3-1-11(2-4-12)9-10-20-16(22)21-13-5-7-14(8-6-13)23-15(18)19/h1-8,15H,9-10H2,(H2,20,21,22)
InChIKeyBOWFLJFHFXYZQT-UHFFFAOYSA-N
MW340.76 g/mol
LogP4.31
Rot. Bonds6

About 1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea

1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea (PubChem CID 11617063) has the molecular formula C16H15ClF2N2O2 and a molecular weight of 340.76 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea
PubChem CID11617063
Molecular FormulaC16H15ClF2N2O2
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15ClF2N2O2/c17-12-3-1-11(2-4-12)9-10-20-16(22)21-13-5-7-14(8-6-13)23-15(18)19/h1-8,15H,9-10H2,(H2,20,21,22)
InChIKeyBOWFLJFHFXYZQT-UHFFFAOYSA-N
XLogP4.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea (CID 11617063) is 1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea is O=C(NCCc1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea?
The InChIKey is BOWFLJFHFXYZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O2/c17-12-3-1-11(2-4-12)9-10-20-16(22)21-13-5-7-14(8-6-13)23-15(18)19/h1-8,15H,9-10H2,(H2,20,21,22).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea?
1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea has a molecular weight of 340.76 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]urea is sourced from PubChem (CID 11617063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).