2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide

C12H15ClN2O2 — CID 166404031

IUPAC2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NC(=O)CCl
InChIInChI=1S/C12H15ClN2O2/c1-15(2)12(17)7-9-5-3-4-6-10(9)14-11(16)8-13/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyLYIKNIFGAKVZKN-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.49
Rot. Bonds4

About 2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide

2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide (PubChem CID 166404031) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
PubChem CID166404031
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NC(=O)CCl
InChIInChI=1S/C12H15ClN2O2/c1-15(2)12(17)7-9-5-3-4-6-10(9)14-11(16)8-13/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyLYIKNIFGAKVZKN-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.49
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

N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 47377414
N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
CID 60576974
N-(2-butylphenyl)-2-chloroacetamide
CID 150293597
2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
CID 60577078
N,N-dimethyl-2-[2-[[2-oxo-2-(propylamino)ethyl]amino]phenyl]acetamide
CID 47409577
2-[2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 60577453
2-chloro-N-(2,3-diethylphenyl)acetamide
CID 21117145
2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 95130239
N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
CID 12833907
2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 166403944
N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60577965
2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 60577056

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide (CID 166404031) is 2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccccc1NC(=O)CCl.
What is the InChIKey of 2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide?
The InChIKey is LYIKNIFGAKVZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-15(2)12(17)7-9-5-3-4-6-10(9)14-11(16)8-13/h3-6H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide?
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide has a molecular weight of 254.72 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 166404031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).