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

C17H11Cl2F3N2O2 — CID 24500719

IUPAC2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C17H11Cl2F3N2O2/c1-9(26-15-5-2-10(8-23)6-13(15)19)16(25)24-14-4-3-11(18)7-12(14)17(20,21)22/h2-7,9H,1H3,(H,24,25)
InChIKeyZVFZONNMCKJMQM-UHFFFAOYSA-N
MW403.19 g/mol
LogP5.29
Rot. Bonds4

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

2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 24500719) has the molecular formula C17H11Cl2F3N2O2 and a molecular weight of 403.19 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
PubChem CID24500719
Molecular FormulaC17H11Cl2F3N2O2
Molecular Weight403.19 g/mol
Exact Mass402.01
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C17H11Cl2F3N2O2/c1-9(26-15-5-2-10(8-23)6-13(15)19)16(25)24-14-4-3-11(18)7-12(14)17(20,21)22/h2-7,9H,1H3,(H,24,25)
InChIKeyZVFZONNMCKJMQM-UHFFFAOYSA-N
XLogP5.29
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.19
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenoxy)propanamide
CID 1019961
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9383960
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
(2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 9384005
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9383986
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 2202420
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16511735
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(2-nitrophenyl)propanamide
CID 8976828
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(2-nitrophenyl)propanamide
CID 8976832

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide (CID 24500719) is 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide is CC(Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZVFZONNMCKJMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N2O2/c1-9(26-15-5-2-10(8-23)6-13(15)19)16(25)24-14-4-3-11(18)7-12(14)17(20,21)22/h2-7,9H,1H3,(H,24,25).
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 403.19 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 24500719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).