N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide

C21H17F3N4O3 — CID 135491249

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1cccc(C(F)(F)F)c1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)14-5-3-6-15(10-14)27-20(31)25-12-19(30)28-26-11-17-16-7-2-1-4-13(16)8-9-18(17)29/h1-11,29H,12H2,(H,28,30)(H2,25,27,31)/b26-11+
InChIKeySMQSTAZWUUJIAE-KBKYJPHKSA-N
MW430.39 g/mol
LogP3.84
Rot. Bonds5

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

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide (PubChem CID 135491249) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
PubChem CID135491249
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1cccc(C(F)(F)F)c1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)14-5-3-6-15(10-14)27-20(31)25-12-19(30)28-26-11-17-16-7-2-1-4-13(16)8-9-18(17)29/h1-11,29H,12H2,(H,28,30)(H2,25,27,31)/b26-11+
InChIKeySMQSTAZWUUJIAE-KBKYJPHKSA-N
XLogP3.84
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide 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

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
1-(7-Hydroxy-naphthalen-1-yl)-3-(3-trifluoromethyl-benzyl)-urea
CID 10428579
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093
(3,4-Dihydro-2H-quinolin-1-yl)-acetic acid [1-(2-hydroxy-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide
CID 135484398
2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135625836
2-(2-(3-Hydroxybenzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 51060528
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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide (CID 135491249) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide is O=C(CNC(=O)Nc1cccc(C(F)(F)F)c1)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The InChIKey is SMQSTAZWUUJIAE-KBKYJPHKSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c22-21(23,24)14-5-3-6-15(10-14)27-20(31)25-12-19(30)28-26-11-17-16-7-2-1-4-13(16)8-9-18(17)29/h1-11,29H,12H2,(H,28,30)(H2,25,27,31)/b26-11+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide has a molecular weight of 430.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 135491249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).