2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide

C11H14Cl2N2O — CID 43399947

IUPAC2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-2-15-11(16)7-14-6-8-3-4-9(12)5-10(8)13/h3-5,14H,2,6-7H2,1H3,(H,15,16)
InChIKeyJSUXVWIIRKKKLC-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.22
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide

2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide (PubChem CID 43399947) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide
PubChem CID43399947
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-2-15-11(16)7-14-6-8-3-4-9(12)5-10(8)13/h3-5,14H,2,6-7H2,1H3,(H,15,16)
InChIKeyJSUXVWIIRKKKLC-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,4-dichlorophenyl)ethylamino]-N-ethylacetamide
CID 28578887
2-[(2-chloro-4-cyanophenyl)methylamino]-N-ethylacetamide
CID 102664089
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
CID 28684550
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide
CID 115632183
2-(4-chloro-2-methylphenyl)-N-ethylacetamide
CID 142912369
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 60672273
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-3-fluorobenzamide
CID 43566993
2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide
CID 66158893

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide (CID 43399947) is 2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide is CCNC(=O)CNCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide?
The InChIKey is JSUXVWIIRKKKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-2-15-11(16)7-14-6-8-3-4-9(12)5-10(8)13/h3-5,14H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide?
2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide has a molecular weight of 261.15 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide is sourced from PubChem (CID 43399947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).