4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide

C18H13ClF3N3O2 — CID 154348080

IUPAC4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCn1cc(-c2cc(C(=O)Nc3ccccc3OC(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C18H13ClF3N3O2/c1-25-10-12(9-23-25)13-8-11(6-7-14(13)19)17(26)24-15-4-2-3-5-16(15)27-18(20,21)22/h2-10H,1H3,(H,24,26)
InChIKeyULEBWJLVMVIVCN-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.89
Rot. Bonds4

About 4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide

4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 154348080) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID154348080
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCn1cc(-c2cc(C(=O)Nc3ccccc3OC(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C18H13ClF3N3O2/c1-25-10-12(9-23-25)13-8-11(6-7-14(13)19)17(26)24-15-4-2-3-5-16(15)27-18(20,21)22/h2-10H,1H3,(H,24,26)
InChIKeyULEBWJLVMVIVCN-UHFFFAOYSA-N
XLogP4.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 154348080) is 4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide is Cn1cc(-c2cc(C(=O)Nc3ccccc3OC(F)(F)F)ccc2Cl)cn1.
What is the InChIKey of 4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is ULEBWJLVMVIVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c1-25-10-12(9-23-25)13-8-11(6-7-14(13)19)17(26)24-15-4-2-3-5-16(15)27-18(20,21)22/h2-10H,1H3,(H,24,26).
What are the key properties of 4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide?
4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 395.77 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 154348080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).