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

C20H13ClF3N3O3 — CID 11476057

IUPACN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N3O3/c21-17-6-3-13(11-16(17)20(22,23)24)27-19(29)18(28)26-12-1-4-14(5-2-12)30-15-7-9-25-10-8-15/h1-11H,(H,26,28)(H,27,29)
InChIKeyFXSOMCUVFYCJKP-UHFFFAOYSA-N
MW435.79 g/mol
LogP5.12
Rot. Bonds4

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

N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide (PubChem CID 11476057) has the molecular formula C20H13ClF3N3O3 and a molecular weight of 435.79 g/mol. Its IUPAC name is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide
PubChem CID11476057
Molecular FormulaC20H13ClF3N3O3
Molecular Weight435.79 g/mol
Exact Mass435.06
IUPAC NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N3O3/c21-17-6-3-13(11-16(17)20(22,23)24)27-19(29)18(28)26-12-1-4-14(5-2-12)30-15-7-9-25-10-8-15/h1-11H,(H,26,28)(H,27,29)
InChIKeyFXSOMCUVFYCJKP-UHFFFAOYSA-N
XLogP5.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.79
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11531206
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-oxopyridine-2-carboxamide
CID 151804255
N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
1-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 91587376
1-[4-[(2-butan-2-yl-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 167119734
1-[4-(6-chloropyrimidin-4-yl)oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 58659336
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[(pyridine-2-carbonylamino)carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 86566684
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(3,3,3-trideuteriopropanoyl)-4-pyridinyl]oxy]phenyl]urea
CID 89402801
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide
CID 108515817
1-[4-[[2-[[(4-chlorobenzoyl)amino]carbamoyl]-4-pyridinyl]oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 86566353
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide
CID 25165137
1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 11510714

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide?
The IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide (CID 11476057) is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide.
What is the SMILES notation for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide?
The canonical SMILES for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide is O=C(Nc1ccc(Oc2ccncc2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide?
The InChIKey is FXSOMCUVFYCJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3O3/c21-17-6-3-13(11-16(17)20(22,23)24)27-19(29)18(28)26-12-1-4-14(5-2-12)30-15-7-9-25-10-8-15/h1-11H,(H,26,28)(H,27,29).
What are the key properties of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide?
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide has a molecular weight of 435.79 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide is sourced from PubChem (CID 11476057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).