2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide

C16H17F3N6O2 — CID 142468084

IUPAC2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide
SMILESN/C(=N\N(N)CC(=O)NO)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N6O2/c17-16(18,19)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15(20)23-25(21)9-14(26)24-27/h1-8,22,27H,9,21H2,(H2,20,23)(H,24,26)
InChIKeyYJPMLFWLLHRZSA-UHFFFAOYSA-N
MW382.35 g/mol
LogP1.75
Rot. Bonds6

About 2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide

2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide (PubChem CID 142468084) has the molecular formula C16H17F3N6O2 and a molecular weight of 382.35 g/mol. Its IUPAC name is 2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide
PubChem CID142468084
Molecular FormulaC16H17F3N6O2
Molecular Weight382.35 g/mol
Exact Mass382.14
IUPAC Name2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide
SMILESN/C(=N\N(N)CC(=O)NO)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N6O2/c17-16(18,19)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15(20)23-25(21)9-14(26)24-27/h1-8,22,27H,9,21H2,(H2,20,23)(H,24,26)
InChIKeyYJPMLFWLLHRZSA-UHFFFAOYSA-N
XLogP1.75
TPSA129.00 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide;ethane;propane
CID 142468083
2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-methylacetamide
CID 142468369
N'-[amino-[2-(trifluoromethoxy)ethyl]amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142468180
N'-[amino(2-hydroxyethyl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide;thietane
CID 142468067
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
N'-[(1-acetyl-3-hydroxypiperidin-3-yl)methyl-aminoamino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142468277
N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142467978
tert-butyl 3-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]pyrrolidine-1-carboxylate
CID 142468292
N'-[amino-(2-cyclopropyl-2-oxoethyl)amino]-2-(4-ethylanilino)benzenecarboximidamide
CID 142468317
N'-[amino(2-hydroxyethyl)amino]-5-ethyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142468007
methyl-[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 166680960
[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 155211805

Frequently Asked Questions

What is the IUPAC name of 2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide (CID 142468084) is 2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide is N/C(=N\N(N)CC(=O)NO)c1ccccc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide?
The InChIKey is YJPMLFWLLHRZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O2/c17-16(18,19)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15(20)23-25(21)9-14(26)24-27/h1-8,22,27H,9,21H2,(H2,20,23)(H,24,26).
What are the key properties of 2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide?
2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide has a molecular weight of 382.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide is sourced from PubChem (CID 142468084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).