N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide

C15H11ClF3N3O2 — CID 86919834

IUPACN'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H11ClF3N3O2/c16-11-4-3-10(15(17,18)19)6-12(11)22-14(24)13(23)21-8-9-2-1-5-20-7-9/h1-7H,8H2,(H,21,23)(H,22,24)
InChIKeySLBHTTSSZZYQTQ-UHFFFAOYSA-N
MW357.72 g/mol
LogP3.01
Rot. Bonds3

About N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide

N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 86919834) has the molecular formula C15H11ClF3N3O2 and a molecular weight of 357.72 g/mol. Its IUPAC name is N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID86919834
Molecular FormulaC15H11ClF3N3O2
Molecular Weight357.72 g/mol
Exact Mass357.05
IUPAC NameN'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H11ClF3N3O2/c16-11-4-3-10(15(17,18)19)6-12(11)22-14(24)13(23)21-8-9-2-1-5-20-7-9/h1-7H,8H2,(H,21,23)(H,22,24)
InChIKeySLBHTTSSZZYQTQ-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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Related Compounds

N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108984915
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-4-ylmethyl)propanediamide
CID 108947865
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860825
1-[4-[[2-chloro-5-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(pyridin-3-ylmethyl)urea
CID 71140322
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-benzyl-N'-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanediamide
CID 108961616
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 4050389

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide (CID 86919834) is N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide is O=C(NCc1cccnc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is SLBHTTSSZZYQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O2/c16-11-4-3-10(15(17,18)19)6-12(11)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'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide?
N'-[2-chloro-5-(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'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 86919834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).