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

C11H12Cl2N2O2 — CID 43695965

IUPAC4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NC(=O)CCl
InChIInChI=1S/C11H12Cl2N2O2/c1-15(2)11(17)8-4-3-7(13)5-9(8)14-10(16)6-12/h3-5H,6H2,1-2H3,(H,14,16)
InChIKeySFDCBYKRJMBRTO-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.22
Rot. Bonds3

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

4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide (PubChem CID 43695965) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.14 g/mol. Its IUPAC name is 4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
PubChem CID43695965
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.14 g/mol
Exact Mass274.03
IUPAC Name4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NC(=O)CCl
InChIInChI=1S/C11H12Cl2N2O2/c1-15(2)11(17)8-4-3-7(13)5-9(8)14-10(16)6-12/h3-5H,6H2,1-2H3,(H,14,16)
InChIKeySFDCBYKRJMBRTO-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide 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

4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60843063
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
2-(2-bromopropanoylamino)-4-chloro-N,N-dimethylbenzamide
CID 114014319
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide
CID 50956773
2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 60847700
dimethyl (E)-2-[5-chloro-2-(dimethylcarbamoyl)anilino]but-2-enedioate
CID 168566085
2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683758
2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
CID 43697977
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
CID 55234275
4-chloro-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 71897532

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide (CID 43695965) is 4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1NC(=O)CCl.
What is the InChIKey of 4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide?
The InChIKey is SFDCBYKRJMBRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-15(2)11(17)8-4-3-7(13)5-9(8)14-10(16)6-12/h3-5H,6H2,1-2H3,(H,14,16).
What are the key properties of 4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide?
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide has a molecular weight of 275.14 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43695965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).