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

C20H14F3N3O3 — CID 135625836

IUPACN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3N3O3/c21-20(22,23)13-5-3-6-14(10-13)25-18(28)19(29)26-24-11-16-15-7-2-1-4-12(15)8-9-17(16)27/h1-11,27H,(H,25,28)(H,26,29)/b24-11+
InChIKeyHOZSSAHOGGHVBJ-BHGWPJFGSA-N
MW401.34 g/mol
LogP3.65
Rot. Bonds3

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

N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 135625836) has the molecular formula C20H14F3N3O3 and a molecular weight of 401.34 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID135625836
Molecular FormulaC20H14F3N3O3
Molecular Weight401.34 g/mol
Exact Mass401.10
IUPAC NameN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3N3O3/c21-20(22,23)13-5-3-6-14(10-13)25-18(28)19(29)26-24-11-16-15-7-2-1-4-12(15)8-9-17(16)27/h1-11,27H,(H,25,28)(H,26,29)/b24-11+
InChIKeyHOZSSAHOGGHVBJ-BHGWPJFGSA-N
XLogP3.65
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 53.65
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'}

Analyze N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-{[(E)-(2-hydroxy-1-naphthyl)methylidene]amino}phenyl)acetamide
CID 796792
(e)-2-(4-Ethoxyphenylamino)-n'-((2-hydroxynaphthalen-1-yl)methylene)acetohydrazide
CID 135411347
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
2-hydroxy-1-naphthaldehyde N-phenylsemicarbazone
CID 135437626
2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4882542
N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]-2-[(2-methoxyphenyl)amino]acetohydrazide
CID 135420064
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093
2-[(2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxoethyl)thio]-N-phenylacetamide
CID 135438768
(3,4-Dihydro-2H-quinolin-1-yl)-acetic acid [1-(2-hydroxy-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide
CID 135484398
N'-[(E)-(2-Hydroxynaphthalen-1-YL)methylidene]-2-[(4-methoxyphenyl)amino]propanehydrazide
CID 135829859
N(2,3-Dichlorophenyl)-2-(2-((2-HO-1-naphthyl)methylene)hydrazino)-2-oxoacetamide
CID 135420130

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide (CID 135625836) is N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is HOZSSAHOGGHVBJ-BHGWPJFGSA-N. The full InChI is InChI=1S/C20H14F3N3O3/c21-20(22,23)13-5-3-6-14(10-13)25-18(28)19(29)26-24-11-16-15-7-2-1-4-12(15)8-9-17(16)27/h1-11,27H,(H,25,28)(H,26,29)/b24-11+.
What are the key properties of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 401.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 135625836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).