N-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide

C20H11ClF5N3O3 — CID 23463893

IUPACN-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C20H11ClF5N3O3/c21-13-6-5-11(8-12(13)20(24,25)26)32-16-7-4-10(9-27-16)28-19(31)29-18(30)17-14(22)2-1-3-15(17)23/h1-9H,(H2,28,29,30,31)
InChIKeyCMXIQPZKAMIBGI-UHFFFAOYSA-N
MW471.77 g/mol
LogP5.79
Rot. Bonds4

About N-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide

N-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 23463893) has the molecular formula C20H11ClF5N3O3 and a molecular weight of 471.77 g/mol. Its IUPAC name is N-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID23463893
Molecular FormulaC20H11ClF5N3O3
Molecular Weight471.77 g/mol
Exact Mass471.04
IUPAC NameN-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C20H11ClF5N3O3/c21-13-6-5-11(8-12(13)20(24,25)26)32-16-7-4-10(9-27-16)28-19(31)29-18(30)17-14(22)2-1-3-15(17)23/h1-9H,(H2,28,29,30,31)
InChIKeyCMXIQPZKAMIBGI-UHFFFAOYSA-N
XLogP5.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.77
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide (CID 23463893) is N-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)nc1.
What is the InChIKey of N-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is CMXIQPZKAMIBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF5N3O3/c21-13-6-5-11(8-12(13)20(24,25)26)32-16-7-4-10(9-27-16)28-19(31)29-18(30)17-14(22)2-1-3-15(17)23/h1-9H,(H2,28,29,30,31).
What are the key properties of N-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
N-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 471.77 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 23463893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).