2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide

C10H12Cl2N2O — CID 130276365

IUPAC2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-14(2)10(15)4-6-3-8(12)9(13)5-7(6)11/h3,5H,4,13H2,1-2H3
InChIKeyOMKPGYBNPNQVHZ-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.21
Rot. Bonds2

About 2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide

2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide (PubChem CID 130276365) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide
PubChem CID130276365
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-14(2)10(15)4-6-3-8(12)9(13)5-7(6)11/h3,5H,4,13H2,1-2H3
InChIKeyOMKPGYBNPNQVHZ-UHFFFAOYSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide
CID 130276926
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693
2-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115
2-(2,4-dichlorophenyl)-N-methylacetohydrazide
CID 116844869
2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130275786
2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide
CID 79150403
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
[2-(dimethylamino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7968005
4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 82833484
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 43374844
4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide
CID 82120602
2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 63660537

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide (CID 130276365) is 2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1cc(Cl)c(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide?
The InChIKey is OMKPGYBNPNQVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-14(2)10(15)4-6-3-8(12)9(13)5-7(6)11/h3,5H,4,13H2,1-2H3.
What are the key properties of 2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide?
2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide has a molecular weight of 247.12 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 130276365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).