N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide

C18H25F3N2O — CID 5075472

IUPACN-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide
SMILESCCCCCCCCCC(=O)NN=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C18H25F3N2O/c1-2-3-4-5-6-7-8-13-17(24)23-22-14-15-11-9-10-12-16(15)18(19,20)21/h9-12,14H,2-8,13H2,1H3,(H,23,24)
InChIKeyHQLVVEYPTCWNLR-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.30
Rot. Bonds10

About N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide

N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide (PubChem CID 5075472) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide
PubChem CID5075472
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide
SMILESCCCCCCCCCC(=O)NN=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C18H25F3N2O/c1-2-3-4-5-6-7-8-13-17(24)23-22-14-15-11-9-10-12-16(15)18(19,20)21/h9-12,14H,2-8,13H2,1H3,(H,23,24)
InChIKeyHQLVVEYPTCWNLR-UHFFFAOYSA-N
XLogP5.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide 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-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]octadecanamide
CID 45054433
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-methylphenyl)methylideneamino]undecanamide
CID 4136077
2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 71966857
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 136719377
2-(4-methoxyphenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6258756

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide (CID 5075472) is N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide is CCCCCCCCCC(=O)NN=Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide?
The InChIKey is HQLVVEYPTCWNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-2-3-4-5-6-7-8-13-17(24)23-22-14-15-11-9-10-12-16(15)18(19,20)21/h9-12,14H,2-8,13H2,1H3,(H,23,24).
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide?
N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide has a molecular weight of 342.40 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide is sourced from PubChem (CID 5075472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).