N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide

C15H11ClF3N3O2 — CID 2260767

IUPACN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H11ClF3N3O2/c16-12-4-3-10(6-11(12)15(17,18)19)22-14(24)13(23)21-8-9-2-1-5-20-7-9/h1-7H,8H2,(H,21,23)(H,22,24)
InChIKeyNMQLYQOLKSBFAE-UHFFFAOYSA-N
MW357.72 g/mol
LogP3.01
Rot. Bonds3

About N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide

N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 2260767) has the molecular formula C15H11ClF3N3O2 and a molecular weight of 357.72 g/mol. Its IUPAC name is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID2260767
Molecular FormulaC15H11ClF3N3O2
Molecular Weight357.72 g/mol
Exact Mass357.05
IUPAC NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H11ClF3N3O2/c16-12-4-3-10(6-11(12)15(17,18)19)22-14(24)13(23)21-8-9-2-1-5-20-7-9/h1-7H,8H2,(H,21,23)(H,22,24)
InChIKeyNMQLYQOLKSBFAE-UHFFFAOYSA-N
XLogP3.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide (CID 2260767) is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide is O=C(NCc1cccnc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is NMQLYQOLKSBFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O2/c16-12-4-3-10(6-11(12)15(17,18)19)22-14(24)13(23)21-8-9-2-1-5-20-7-9/h1-7H,8H2,(H,21,23)(H,22,24).
What are the key properties of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide?
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 357.72 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 2260767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).