2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide

C11H13Cl2N3O — CID 169365881

IUPAC2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1/N=C(/N)CCl
InChIInChI=1S/C11H13Cl2N3O/c1-16(2)11(17)8-4-3-7(13)5-9(8)15-10(14)6-12/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyAKIAHOSTZYHWEL-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.27
Rot. Bonds3

About 2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide

2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 169365881) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide
PubChem CID169365881
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1/N=C(/N)CCl
InChIInChI=1S/C11H13Cl2N3O/c1-16(2)11(17)8-4-3-7(13)5-9(8)15-10(14)6-12/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyAKIAHOSTZYHWEL-UHFFFAOYSA-N
XLogP2.27
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-azido-4-chloro-N,N-dimethylbenzamide
CID 169324899
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N,N-dimethylbenzamide
CID 169365940
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide
CID 169366374
2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide
CID 169367729
2-[(1-amino-2-chloroethylidene)amino]-N-benzyl-N-methylbenzamide
CID 169367941
4-[4-[(1-amino-2-chloroethylidene)amino]phenyl]-N,N-dimethylbenzamide
CID 169366248
2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide
CID 169369622
2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
2-[(1-amino-2-chloroethylidene)amino]-4-(1,2,4-triazol-4-yl)benzoic acid
CID 169365884
methyl 2-[5-chloro-2-(dimethylcarbamoyl)anilino]propanoate
CID 66172721
[3-[(1-amino-2-chloroethylidene)amino]-4-fluorophenyl] acetate
CID 169368794

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide (CID 169365881) is 2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1/N=C(/N)CCl.
What is the InChIKey of 2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is AKIAHOSTZYHWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O/c1-16(2)11(17)8-4-3-7(13)5-9(8)15-10(14)6-12/h3-5H,6H2,1-2H3,(H2,14,15).
What are the key properties of 2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide?
2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 274.15 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 169365881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).