N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide

C16H10ClF3N2O2 — CID 2477411

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H10ClF3N2O2/c17-13-6-5-11(7-12(13)16(18,19)20)22-15(23)9-24-14-4-2-1-3-10(14)8-21/h1-7H,9H2,(H,22,23)
InChIKeyBLLPIKIQECCJQZ-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.25
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide (PubChem CID 2477411) has the molecular formula C16H10ClF3N2O2 and a molecular weight of 354.72 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide
PubChem CID2477411
Molecular FormulaC16H10ClF3N2O2
Molecular Weight354.72 g/mol
Exact Mass354.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H10ClF3N2O2/c17-13-6-5-11(7-12(13)16(18,19)20)22-15(23)9-24-14-4-2-1-3-10(14)8-21/h1-7H,9H2,(H,22,23)
InChIKeyBLLPIKIQECCJQZ-UHFFFAOYSA-N
XLogP4.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide (CID 2477411) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide is N#Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide?
The InChIKey is BLLPIKIQECCJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O2/c17-13-6-5-11(7-12(13)16(18,19)20)22-15(23)9-24-14-4-2-1-3-10(14)8-21/h1-7H,9H2,(H,22,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide has a molecular weight of 354.72 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 2477411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).