N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide

C12H14Cl3NO — CID 79016632

IUPACN,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(CCCl)CCCl
InChIInChI=1S/C12H14Cl3NO/c13-5-7-16(8-6-14)12(17)9-10-1-3-11(15)4-2-10/h1-4H,5-9H2
InChIKeyQAEDQZOWALINDW-UHFFFAOYSA-N
MW294.61 g/mol
LogP3.19
Rot. Bonds6

About N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide

N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide (PubChem CID 79016632) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide
PubChem CID79016632
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC NameN,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(CCCl)CCCl
InChIInChI=1S/C12H14Cl3NO/c13-5-7-16(8-6-14)12(17)9-10-1-3-11(15)4-2-10/h1-4H,5-9H2
InChIKeyQAEDQZOWALINDW-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952798
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 63395080
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381431
2-(4-chlorophenyl)acetate
CID 5460378
N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide
CID 107491039
2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866603
2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576750
2-(4-chlorophenyl)acetyl iodide
CID 89264950
N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 122692683

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide (CID 79016632) is N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)N(CCCl)CCCl.
What is the InChIKey of N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide?
The InChIKey is QAEDQZOWALINDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO/c13-5-7-16(8-6-14)12(17)9-10-1-3-11(15)4-2-10/h1-4H,5-9H2.
What are the key properties of N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide?
N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide has a molecular weight of 294.61 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 79016632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).