N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide

C18H17F4NO2 — CID 6451159

IUPACN-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide
SMILESCCC(Oc1ccc(F)c(C(F)(F)F)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24)
InChIKeyFFQPZWRNXKPNPX-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.32
Rot. Bonds6

About N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide

N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide (PubChem CID 6451159) has the molecular formula C18H17F4NO2 and a molecular weight of 355.33 g/mol. Its IUPAC name is N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide.

Molecular Properties

Compound NameN-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide
PubChem CID6451159
Molecular FormulaC18H17F4NO2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC NameN-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide
SMILESCCC(Oc1ccc(F)c(C(F)(F)F)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24)
InChIKeyFFQPZWRNXKPNPX-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide?
The IUPAC name of N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide (CID 6451159) is N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide.
What is the SMILES notation for N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide?
The canonical SMILES for N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide is CCC(Oc1ccc(F)c(C(F)(F)F)c1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide?
The InChIKey is FFQPZWRNXKPNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24).
What are the key properties of N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide?
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide has a molecular weight of 355.33 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide is sourced from PubChem (CID 6451159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).