N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide

C11H14Cl2N2O — CID 28684550

IUPACN-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-8(16)15-5-4-14-7-9-2-3-10(12)6-11(9)13/h2-3,6,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyJQOBWCUMOXEFHU-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.22
Rot. Bonds5

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

N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide (PubChem CID 28684550) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
PubChem CID28684550
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC NameN-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-8(16)15-5-4-14-7-9-2-3-10(12)6-11(9)13/h2-3,6,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyJQOBWCUMOXEFHU-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

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 28684903
N-[2-[(5-chloro-2-nitrophenyl)methylamino]ethyl]acetamide
CID 78998670
N-[2-[(2,4-difluorophenyl)methylamino]ethyl]acetamide
CID 28684424
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
CID 28710214
2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide
CID 43399947
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(2,4-dichlorophenyl)methyl]heptan-1-amine;oxalic acid
CID 163328902
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide
CID 111720291
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 112606322
3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide
CID 95286380

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide (CID 28684550) is N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide?
The InChIKey is JQOBWCUMOXEFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-8(16)15-5-4-14-7-9-2-3-10(12)6-11(9)13/h2-3,6,14H,4-5,7H2,1H3,(H,15,16).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide?
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide 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 N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide is sourced from PubChem (CID 28684550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).