4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide

C20H13Cl2F3N2O3 — CID 141432419

IUPAC4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide
SMILESO=C(Nc1cccnc1)c1cc(Cl)c(Cl)cc1Oc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C20H13Cl2F3N2O3/c21-16-8-15(19(28)27-12-2-1-7-26-10-12)18(9-17(16)22)30-14-5-3-13(4-6-14)29-11-20(23,24)25/h1-10H,11H2,(H,27,28)
InChIKeyHCBAMBBPJZHGAE-UHFFFAOYSA-N
MW457.24 g/mol
LogP6.37
Rot. Bonds6

About 4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide

4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide (PubChem CID 141432419) has the molecular formula C20H13Cl2F3N2O3 and a molecular weight of 457.24 g/mol. Its IUPAC name is 4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide.

Molecular Properties

Compound Name4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide
PubChem CID141432419
Molecular FormulaC20H13Cl2F3N2O3
Molecular Weight457.24 g/mol
Exact Mass456.03
IUPAC Name4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide
SMILESO=C(Nc1cccnc1)c1cc(Cl)c(Cl)cc1Oc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C20H13Cl2F3N2O3/c21-16-8-15(19(28)27-12-2-1-7-26-10-12)18(9-17(16)22)30-14-5-3-13(4-6-14)29-11-20(23,24)25/h1-10H,11H2,(H,27,28)
InChIKeyHCBAMBBPJZHGAE-UHFFFAOYSA-N
XLogP6.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.24
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide?
The IUPAC name of 4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide (CID 141432419) is 4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide.
What is the SMILES notation for 4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide?
The canonical SMILES for 4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide is O=C(Nc1cccnc1)c1cc(Cl)c(Cl)cc1Oc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide?
The InChIKey is HCBAMBBPJZHGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O3/c21-16-8-15(19(28)27-12-2-1-7-26-10-12)18(9-17(16)22)30-14-5-3-13(4-6-14)29-11-20(23,24)25/h1-10H,11H2,(H,27,28).
What are the key properties of 4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide?
4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide has a molecular weight of 457.24 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-pyridin-3-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]benzamide is sourced from PubChem (CID 141432419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).