N-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide

C23H19ClF3N3O3 — CID 59685071

IUPACN-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1
InChIInChI=1S/C23H19ClF3N3O3/c1-14(31)30-21-13-18(8-10-28-21)33-17-4-2-3-15(11-17)7-9-29-22(32)16-5-6-20(24)19(12-16)23(25,26)27/h2-6,8,10-13H,7,9H2,1H3,(H,29,32)(H,28,30,31)
InChIKeyUZFUTCPHUMEFKN-UHFFFAOYSA-N
MW477.87 g/mol
LogP5.48
Rot. Bonds7

About N-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide

N-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide (PubChem CID 59685071) has the molecular formula C23H19ClF3N3O3 and a molecular weight of 477.87 g/mol. Its IUPAC name is N-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide
PubChem CID59685071
Molecular FormulaC23H19ClF3N3O3
Molecular Weight477.87 g/mol
Exact Mass477.11
IUPAC NameN-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1
InChIInChI=1S/C23H19ClF3N3O3/c1-14(31)30-21-13-18(8-10-28-21)33-17-4-2-3-15(11-17)7-9-29-22(32)16-5-6-20(24)19(12-16)23(25,26)27/h2-6,8,10-13H,7,9H2,1H3,(H,29,32)(H,28,30,31)
InChIKeyUZFUTCPHUMEFKN-UHFFFAOYSA-N
XLogP5.48
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.87
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide (CID 59685071) is N-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide is CC(=O)Nc1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1.
What is the InChIKey of N-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide?
The InChIKey is UZFUTCPHUMEFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N3O3/c1-14(31)30-21-13-18(8-10-28-21)33-17-4-2-3-15(11-17)7-9-29-22(32)16-5-6-20(24)19(12-16)23(25,26)27/h2-6,8,10-13H,7,9H2,1H3,(H,29,32)(H,28,30,31).
What are the key properties of N-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide?
N-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide has a molecular weight of 477.87 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(2-acetamido-4-pyridinyl)oxy]phenyl]ethyl]-4-chloro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 59685071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).