[2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone

C22H14Cl2F3NO2 — CID 3810501

IUPAC[2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C22H14Cl2F3NO2/c23-15-5-1-12(2-6-15)17-10-18(17)20(29)13-3-7-16(8-4-13)30-21-19(24)9-14(11-28-21)22(25,26)27/h1-9,11,17-18H,10H2
InChIKeyOVLKSIWSRZTVPO-UHFFFAOYSA-N
MW452.26 g/mol
LogP7.19
Rot. Bonds5

About [2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone

[2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 3810501) has the molecular formula C22H14Cl2F3NO2 and a molecular weight of 452.26 g/mol. Its IUPAC name is [2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID3810501
Molecular FormulaC22H14Cl2F3NO2
Molecular Weight452.26 g/mol
Exact Mass451.04
IUPAC Name[2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C22H14Cl2F3NO2/c23-15-5-1-12(2-6-15)17-10-18(17)20(29)13-3-7-16(8-4-13)30-21-19(24)9-14(11-28-21)22(25,26)27/h1-9,11,17-18H,10H2
InChIKeyOVLKSIWSRZTVPO-UHFFFAOYSA-N
XLogP7.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.26
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of [2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone (CID 3810501) is [2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone is O=C(c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is OVLKSIWSRZTVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F3NO2/c23-15-5-1-12(2-6-15)17-10-18(17)20(29)13-3-7-16(8-4-13)30-21-19(24)9-14(11-28-21)22(25,26)27/h1-9,11,17-18H,10H2.
What are the key properties of [2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone?
[2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 452.26 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)cyclopropyl]-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 3810501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).