N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide

C14H9ClF3N3O2 — CID 108515817

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccccn1
InChIInChI=1S/C14H9ClF3N3O2/c15-10-5-4-8(7-9(10)14(16,17)18)20-12(22)13(23)21-11-3-1-2-6-19-11/h1-7H,(H,20,22)(H,19,21,23)
InChIKeyQEDSMEHYVKPTBZ-UHFFFAOYSA-N
MW343.69 g/mol
LogP3.33
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide (PubChem CID 108515817) has the molecular formula C14H9ClF3N3O2 and a molecular weight of 343.69 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide
PubChem CID108515817
Molecular FormulaC14H9ClF3N3O2
Molecular Weight343.69 g/mol
Exact Mass343.03
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccccn1
InChIInChI=1S/C14H9ClF3N3O2/c15-10-5-4-8(7-9(10)14(16,17)18)20-12(22)13(23)21-11-3-1-2-6-19-11/h1-7H,(H,20,22)(H,19,21,23)
InChIKeyQEDSMEHYVKPTBZ-UHFFFAOYSA-N
XLogP3.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.69
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108515782
N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108507995
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11476057
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-2-ylmethylamino)acetamide
CID 108999180
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide
CID 141052646
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
CID 108504354
N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515847
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751854
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023445
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 122315010
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 3470850
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 143473588

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide (CID 108515817) is N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccccn1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide?
The InChIKey is QEDSMEHYVKPTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O2/c15-10-5-4-8(7-9(10)14(16,17)18)20-12(22)13(23)21-11-3-1-2-6-19-11/h1-7H,(H,20,22)(H,19,21,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide has a molecular weight of 343.69 g/mol, XLogP of 3.33, 2 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-2-yloxamide is sourced from PubChem (CID 108515817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).