2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide

C12H16Cl2N2O2 — CID 112685455

IUPAC2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-18-3-2-16-12(17)8-15-7-9-4-10(13)6-11(14)5-9/h4-6,15H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyCCELQJVJFYTZLA-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.85
Rot. Bonds7

About 2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide

2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 112685455) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID112685455
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-18-3-2-16-12(17)8-15-7-9-4-10(13)6-11(14)5-9/h4-6,15H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyCCELQJVJFYTZLA-UHFFFAOYSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
2-[(3-bromo-4-chlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112555040
2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113229720
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263896
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115875961
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112695615
1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47442422
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide
CID 60789054
N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide
CID 110480475
N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
CID 60691812
methyl 2-fluoro-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]benzoate
CID 106700421

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide (CID 112685455) is 2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is CCELQJVJFYTZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-18-3-2-16-12(17)8-15-7-9-4-10(13)6-11(14)5-9/h4-6,15H,2-3,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 291.18 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 112685455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).