2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide

C20H11Cl2F4N3O3 — CID 57322394

IUPAC2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2cc(C(F)(F)F)ccc2F)nc1
InChIInChI=1S/C20H11Cl2F4N3O3/c21-12-2-1-3-13(22)17(12)18(30)29-19(31)28-11-5-7-16(27-9-11)32-15-8-10(20(24,25)26)4-6-14(15)23/h1-9H,(H2,28,29,30,31)
InChIKeyZYXOIRDGAPTVOS-UHFFFAOYSA-N
MW488.22 g/mol
LogP6.30
Rot. Bonds4

About 2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide

2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide (PubChem CID 57322394) has the molecular formula C20H11Cl2F4N3O3 and a molecular weight of 488.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
PubChem CID57322394
Molecular FormulaC20H11Cl2F4N3O3
Molecular Weight488.22 g/mol
Exact Mass487.01
IUPAC Name2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2cc(C(F)(F)F)ccc2F)nc1
InChIInChI=1S/C20H11Cl2F4N3O3/c21-12-2-1-3-13(22)17(12)18(30)29-19(31)28-11-5-7-16(27-9-11)32-15-8-10(20(24,25)26)4-6-14(15)23/h1-9H,(H2,28,29,30,31)
InChIKeyZYXOIRDGAPTVOS-UHFFFAOYSA-N
XLogP6.30
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.22
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 57224277
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912760
2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912773
2-chloro-6-methoxy-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912838
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912749
N-[[6-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dichlorobenzamide
CID 12912782
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043
N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 12912829
2-chloro-6-hydroxy-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 19808580
2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912757
2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide
CID 56980860
2,6-dimethoxy-N-[[6-[3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912799

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide (CID 57322394) is 2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2cc(C(F)(F)F)ccc2F)nc1.
What is the InChIKey of 2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide?
The InChIKey is ZYXOIRDGAPTVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F4N3O3/c21-12-2-1-3-13(22)17(12)18(30)29-19(31)28-11-5-7-16(27-9-11)32-15-8-10(20(24,25)26)4-6-14(15)23/h1-9H,(H2,28,29,30,31).
What are the key properties of 2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide?
2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide has a molecular weight of 488.22 g/mol, XLogP of 6.30, 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-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide is sourced from PubChem (CID 57322394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).