2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide

C20H12Cl2F3N3O3 — CID 12912773

IUPAC2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C20H12Cl2F3N3O3/c21-13-5-3-6-14(22)17(13)18(29)28-19(30)27-11-8-9-16(26-10-11)31-15-7-2-1-4-12(15)20(23,24)25/h1-10H,(H2,27,28,29,30)
InChIKeyLGPZKOYPUQWNRR-UHFFFAOYSA-N
MW470.23 g/mol
LogP6.16
Rot. Bonds4

About 2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide

2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide (PubChem CID 12912773) has the molecular formula C20H12Cl2F3N3O3 and a molecular weight of 470.23 g/mol. Its IUPAC name is 2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
PubChem CID12912773
Molecular FormulaC20H12Cl2F3N3O3
Molecular Weight470.23 g/mol
Exact Mass469.02
IUPAC Name2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C20H12Cl2F3N3O3/c21-13-5-3-6-14(22)17(13)18(29)28-19(30)27-11-8-9-16(26-10-11)31-15-7-2-1-4-12(15)20(23,24)25/h1-10H,(H2,27,28,29,30)
InChIKeyLGPZKOYPUQWNRR-UHFFFAOYSA-N
XLogP6.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.23
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 57322394
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912760
2-chloro-6-methoxy-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912838
N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 12912829
N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 57224277
2,6-dichloro-N-[(6-phenyl-3-pyridinyl)carbamoyl]benzamide
CID 13242737
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043
N-[[6-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dichlorobenzamide
CID 12912782
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912749
2-chloro-6-hydroxy-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 19808580
N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 70361958
N-[[6-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 19072615

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide (CID 12912773) is 2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2ccccc2C(F)(F)F)nc1.
What is the InChIKey of 2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide?
The InChIKey is LGPZKOYPUQWNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3N3O3/c21-13-5-3-6-14(22)17(13)18(29)28-19(30)27-11-8-9-16(26-10-11)31-15-7-2-1-4-12(15)20(23,24)25/h1-10H,(H2,27,28,29,30).
What are the key properties of 2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide?
2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide has a molecular weight of 470.23 g/mol, XLogP of 6.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide is sourced from PubChem (CID 12912773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).