(2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide

C9H9Cl2N5O — CID 45480706

IUPAC(2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide
SMILESNC(N)=N/N=C/C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2N5O/c10-6-2-1-5(3-7(6)11)15-8(17)4-14-16-9(12)13/h1-4H,(H,15,17)(H4,12,13,16)/b14-4+
InChIKeyBCJCXCJVGYRXAD-LNKIKWGQSA-N
MW274.11 g/mol
LogP1.19
Rot. Bonds3

About (2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide

(2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide (PubChem CID 45480706) has the molecular formula C9H9Cl2N5O and a molecular weight of 274.11 g/mol. Its IUPAC name is (2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name(2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide
PubChem CID45480706
Molecular FormulaC9H9Cl2N5O
Molecular Weight274.11 g/mol
Exact Mass273.02
IUPAC Name(2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide
SMILESNC(N)=N/N=C/C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2N5O/c10-6-2-1-5(3-7(6)11)15-8(17)4-14-16-9(12)13/h1-4H,(H,15,17)(H4,12,13,16)/b14-4+
InChIKeyBCJCXCJVGYRXAD-LNKIKWGQSA-N
XLogP1.19
TPSA105.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.19
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-(trifluoromethyl)phenyl]acetamide
CID 45480867
3-chloro-N-(3,4-dichlorophenyl)but-2-enamide
CID 54340500
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
4-(3,4-dichloroanilino)-4-oxobut-2-enoate
CID 4065684
(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide
CID 53274929
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810
1-carbamothioyl-3-(3,4-dichlorophenyl)urea
CID 134095672
6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
(E)-N-(3,4-dichlorophenyl)hex-2-enamide
CID 134122925
3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
CID 29201519

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of (2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide (CID 45480706) is (2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for (2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for (2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide is NC(N)=N/N=C/C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is BCJCXCJVGYRXAD-LNKIKWGQSA-N. The full InChI is InChI=1S/C9H9Cl2N5O/c10-6-2-1-5(3-7(6)11)15-8(17)4-14-16-9(12)13/h1-4H,(H,15,17)(H4,12,13,16)/b14-4+.
What are the key properties of (2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide?
(2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 274.11 g/mol, XLogP of 1.19, 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-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 45480706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).