2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide

C11H16ClN3O — CID 115468609

IUPAC2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1cc(Cl)ccc1N
InChIInChI=1S/C11H16ClN3O/c1-14(2)11(16)7-15(3)10-6-8(12)4-5-9(10)13/h4-6H,7,13H2,1-3H3
InChIKeyGFSXEPNOIFNFPZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.45
Rot. Bonds3

About 2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide

2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide (PubChem CID 115468609) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
PubChem CID115468609
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1cc(Cl)ccc1N
InChIInChI=1S/C11H16ClN3O/c1-14(2)11(16)7-15(3)10-6-8(12)4-5-9(10)13/h4-6H,7,13H2,1-3H3
InChIKeyGFSXEPNOIFNFPZ-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide
CID 107466016
4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide
CID 63360563
2-(2-amino-5-chloro-N-methylanilino)-N-(cyanomethyl)acetamide
CID 107466058
2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide
CID 107466147
2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107466274
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468988
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
2-(N,2-diamino-5-chloroanilino)acetic acid
CID 165131295
4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol
CID 107466176
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 114848185
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide (CID 115468609) is 2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide?
The InChIKey is GFSXEPNOIFNFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-14(2)11(16)7-15(3)10-6-8(12)4-5-9(10)13/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide?
2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide has a molecular weight of 241.72 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 115468609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).