N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

C20H13ClF3N3O3 — CID 136863419

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N3O3/c21-16-7-6-12(9-15(16)20(22,23)24)26-18(29)19(30)27-25-10-14-13-4-2-1-3-11(13)5-8-17(14)28/h1-10,28H,(H,26,29)(H,27,30)/b25-10-
InChIKeyCPCRDLUDVMCNMI-MRUKODCESA-N
MW435.79 g/mol
LogP4.31
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (PubChem CID 136863419) 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'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
PubChem CID136863419
Molecular FormulaC20H13ClF3N3O3
Molecular Weight435.79 g/mol
Exact Mass435.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N3O3/c21-16-7-6-12(9-15(16)20(22,23)24)26-18(29)19(30)27-25-10-14-13-4-2-1-3-11(13)5-8-17(14)28/h1-10,28H,(H,26,29)(H,27,30)/b25-10-
InChIKeyCPCRDLUDVMCNMI-MRUKODCESA-N
XLogP4.31
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.79
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
2-[(4-Fluorophenyl)amino]-N'-[(E)-(2-hydroxynaphthalen-1-YL)methylidene]acetohydrazide
CID 135745098
N(2,3-Dichlorophenyl)-2-(2-((2-HO-1-naphthyl)methylene)hydrazino)-2-oxoacetamide
CID 135420130
2-(4-chloro-2-methylanilino)-N'-[(2-hydroxy-1-naphthyl)methylene]butanohydrazide
CID 135533790
2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135625836
2-(2-((2-Hydroxy-1-naphthyl)methylene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 135592770
2-(2-((2-HO-1-Naphthyl)methylene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135716780
2-(2-((2-Hydroxy-1-naphthyl)methylene)hydrazino)-2-oxo-N-phenylacetamide
CID 136627435
2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135491255
2-(4-fluoroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 770438
N-(3-Chlorophenyl)-3-{N'-[(E)-(2-hydroxynaphthalen-1-YL)methylidene]hydrazinecarbonyl}propanamide
CID 135419649
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 135491249

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (CID 136863419) is N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is O=C(N/N=C\c1c(O)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The InChIKey is CPCRDLUDVMCNMI-MRUKODCESA-N. The full InChI is InChI=1S/C20H13ClF3N3O3/c21-16-7-6-12(9-15(16)20(22,23)24)26-18(29)19(30)27-25-10-14-13-4-2-1-3-11(13)5-8-17(14)28/h1-10,28H,(H,26,29)(H,27,30)/b25-10-.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide has a molecular weight of 435.79 g/mol, XLogP of 4.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is sourced from PubChem (CID 136863419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).