(2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide

C10H10F3N5O — CID 45480867

IUPAC(2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESNC(N)=N/N=C/C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)6-1-3-7(4-2-6)17-8(19)5-16-18-9(14)15/h1-5H,(H,17,19)(H4,14,15,18)/b16-5+
InChIKeyKTXXXAURVUMKQO-FZSIALSZSA-N
MW273.22 g/mol
LogP0.90
Rot. Bonds3

About (2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide

(2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 45480867) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is (2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name(2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID45480867
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name(2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESNC(N)=N/N=C/C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)6-1-3-7(4-2-6)17-8(19)5-16-18-9(14)15/h1-5H,(H,17,19)(H4,14,15,18)/b16-5+
InChIKeyKTXXXAURVUMKQO-FZSIALSZSA-N
XLogP0.90
TPSA105.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide
CID 44531277
(2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide
CID 45481384
(2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide
CID 45480706
[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295
(Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 54710314
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
N'-[4-(trifluoromethyl)phenyl]nonanediamide
CID 91365401
(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 84553251
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
potassium [4-(trifluoromethyl)phenyl]carbamoylazanide
CID 143489977
N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 161413842
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of (2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 45480867) is (2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for (2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for (2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide is NC(N)=N/N=C/C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KTXXXAURVUMKQO-FZSIALSZSA-N. The full InChI is InChI=1S/C10H10F3N5O/c11-10(12,13)6-1-3-7(4-2-6)17-8(19)5-16-18-9(14)15/h1-5H,(H,17,19)(H4,14,15,18)/b16-5+.
What are the key properties of (2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide?
(2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 273.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 45480867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).