2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide

C19H15ClF3N3O2 — CID 70967819

IUPAC2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(OCCn2cccn2)cc1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c20-17-12-13(19(21,22)23)2-7-16(17)18(27)25-14-3-5-15(6-4-14)28-11-10-26-9-1-8-24-26/h1-9,12H,10-11H2,(H,25,27)
InChIKeyONZKOTILHHKPOD-UHFFFAOYSA-N
MW409.80 g/mol
LogP4.89
Rot. Bonds6

About 2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide

2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 70967819) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID70967819
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC Name2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(OCCn2cccn2)cc1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c20-17-12-13(19(21,22)23)2-7-16(17)18(27)25-14-3-5-15(6-4-14)28-11-10-26-9-1-8-24-26/h1-9,12H,10-11H2,(H,25,27)
InChIKeyONZKOTILHHKPOD-UHFFFAOYSA-N
XLogP4.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide (CID 70967819) is 2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(OCCn2cccn2)cc1)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ONZKOTILHHKPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c20-17-12-13(19(21,22)23)2-7-16(17)18(27)25-14-3-5-15(6-4-14)28-11-10-26-9-1-8-24-26/h1-9,12H,10-11H2,(H,25,27).
What are the key properties of 2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 409.80 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-pyrazol-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 70967819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).