2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide

C10H12Cl2N2O — CID 3710309

IUPAC2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CCl
InChIInChI=1S/C10H12Cl2N2O/c1-14(2)9-4-3-7(12)5-8(9)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyPQNBMJMKWPZFCQ-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.58
Rot. Bonds3

About 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide

2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide (PubChem CID 3710309) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
PubChem CID3710309
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CCl
InChIInChI=1S/C10H12Cl2N2O/c1-14(2)9-4-3-7(12)5-8(9)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyPQNBMJMKWPZFCQ-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413
7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
CID 119858077
N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide
CID 55353426
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914827
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55358736
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide
CID 113307543
N-[5-chloro-2-(dimethylamino)phenyl]-2-piperidin-4-ylacetamide
CID 61029113

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide (CID 3710309) is 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(Cl)cc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide?
The InChIKey is PQNBMJMKWPZFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-14(2)9-4-3-7(12)5-8(9)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide?
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide has a molecular weight of 247.12 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 3710309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).