N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide

C9H9Cl2N3O — CID 3519

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IUPACN-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide
SMILESNC(N)=NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
InChIKeyINJOMKTZOLKMBF-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.34
Rot. Bonds2

About N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide

N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide (PubChem CID 3519) has the molecular formula C9H9Cl2N3O and a molecular weight of 246.10 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide
PubChem CID3519
Molecular FormulaC9H9Cl2N3O
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC NameN-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide
SMILESNC(N)=NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
InChIKeyINJOMKTZOLKMBF-UHFFFAOYSA-N
XLogP1.34
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Guanfacine Hydrochloride
CID 71401
4-(2,6-Dichlorophenyl)-1,2,5-thiadiazol-3-ol
CID 469189
2-(2-Chlorophenyl)acetamide
CID 641141
N-[3-(2,5-Dichloro-phenyl)-2,2-dimethyl-cyclopropanecarbonyl]-guanidine
CID 10862562
N-[3-(3,5-Dichloro-phenyl)-2,2-dimethyl-cyclopropanecarbonyl]-guanidine
CID 10960633
N-[2-(3-Chloro-phenyl)-cyclopropanecarbonyl]-guanidine
CID 11078662
N-[2-(2,5-Dichloro-phenyl)-cyclopropanecarbonyl]-guanidine
CID 11731793
N-[2-(2-Chloro-phenyl)-cyclopropanecarbonyl]-guanidine
CID 11783118
3-(2,6-Dichlorophenyl)glutaramide
CID 2732129
Benzeneacetamide, 2,6-dichloro-N-((ethylamino)iminomethyl)-
CID 3021824
Benzeneacetamide, 2,6-dichloro-N-(imino(propylamino)methyl)-
CID 3021825
2-(2,6-Dichlorophenyl)acetamide
CID 3422379

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide (CID 3519) is N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide is NC(N)=NC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is INJOMKTZOLKMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15).
What are the key properties of N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide?
N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 246.10 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 3519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).