2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide

C13H18Cl2N2O — CID 112704006

IUPAC2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-3-17(4-2)13(18)9-16-8-10-7-11(14)5-6-12(10)15/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyPTAFKTLEKUQIGO-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.95
Rot. Bonds6

About 2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide

2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide (PubChem CID 112704006) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide
PubChem CID112704006
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-3-17(4-2)13(18)9-16-8-10-7-11(14)5-6-12(10)15/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyPTAFKTLEKUQIGO-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide
CID 104854061
2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide
CID 112687072
ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate
CID 65315908
2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide
CID 106863102
N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 114616826
2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide
CID 66567842
N,N-diethyl-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582548
N,N-diethyl-2-[(2-methylphenyl)methylamino]acetamide
CID 60695385
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide
CID 112687095
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 43309591
2-(benzylamino)-N,N-diethylacetamide
CID 10857021

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide (CID 112704006) is 2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNCc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide?
The InChIKey is PTAFKTLEKUQIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-3-17(4-2)13(18)9-16-8-10-7-11(14)5-6-12(10)15/h5-7,16H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide?
2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide has a molecular weight of 289.21 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 112704006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).