N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide

C12H16Cl2N2O2 — CID 54828800

IUPACN-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
SMILESCOCCCNCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-18-6-2-5-15-8-12(17)16-11-4-3-9(13)7-10(11)14/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyKPOLGSSXJUAANR-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.56
Rot. Bonds7

About N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide

N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide (PubChem CID 54828800) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
PubChem CID54828800
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC NameN-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
SMILESCOCCCNCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-18-6-2-5-15-8-12(17)16-11-4-3-9(13)7-10(11)14/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyKPOLGSSXJUAANR-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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-(butylamino)-N-(2,4-dichlorophenyl)acetamide
CID 54815344
N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943222
N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943345
N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015588
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54806172
N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide
CID 107807962
4-chloro-3-[[2-(4-methoxybutylamino)acetyl]amino]benzoic acid
CID 103244317
N-(2,4-dichlorophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959789
3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113117231
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide (CID 54828800) is N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide is COCCCNCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide?
The InChIKey is KPOLGSSXJUAANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-18-6-2-5-15-8-12(17)16-11-4-3-9(13)7-10(11)14/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide?
N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide has a molecular weight of 291.18 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide is sourced from PubChem (CID 54828800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).