2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide

C16H13ClF3NO3 — CID 12797888

IUPAC2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide
SMILESCC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1)C(N)=O
InChIInChI=1S/C16H13ClF3NO3/c1-9(15(21)22)23-11-3-5-12(6-4-11)24-14-7-2-10(8-13(14)17)16(18,19)20/h2-9H,1H3,(H2,21,22)
InChIKeyRZUPMFYPQPXSBE-UHFFFAOYSA-N
MW359.73 g/mol
LogP4.40
Rot. Bonds5

About 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide

2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide (PubChem CID 12797888) has the molecular formula C16H13ClF3NO3 and a molecular weight of 359.73 g/mol. Its IUPAC name is 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide.

Molecular Properties

Compound Name2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide
PubChem CID12797888
Molecular FormulaC16H13ClF3NO3
Molecular Weight359.73 g/mol
Exact Mass359.05
IUPAC Name2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide
SMILESCC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1)C(N)=O
InChIInChI=1S/C16H13ClF3NO3/c1-9(15(21)22)23-11-3-5-12(6-4-11)24-14-7-2-10(8-13(14)17)16(18,19)20/h2-9H,1H3,(H2,21,22)
InChIKeyRZUPMFYPQPXSBE-UHFFFAOYSA-N
XLogP4.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.73
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
The IUPAC name of 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide (CID 12797888) is 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide.
What is the SMILES notation for 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
The canonical SMILES for 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide is CC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1)C(N)=O.
What is the InChIKey of 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
The InChIKey is RZUPMFYPQPXSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO3/c1-9(15(21)22)23-11-3-5-12(6-4-11)24-14-7-2-10(8-13(14)17)16(18,19)20/h2-9H,1H3,(H2,21,22).
What are the key properties of 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide has a molecular weight of 359.73 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanamide is sourced from PubChem (CID 12797888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).