2,2-dichloro-N-(3-methoxypropyl)acetamide

C6H11Cl2NO2 — CID 3598343

IUPAC2,2-dichloro-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)C(Cl)Cl
InChIInChI=1S/C6H11Cl2NO2/c1-11-4-2-3-9-6(10)5(7)8/h5H,2-4H2,1H3,(H,9,10)
InChIKeyVBRBHTFROMNBPH-UHFFFAOYSA-N
MW200.06 g/mol
LogP0.94
Rot. Bonds5

About 2,2-dichloro-N-(3-methoxypropyl)acetamide

2,2-dichloro-N-(3-methoxypropyl)acetamide (PubChem CID 3598343) has the molecular formula C6H11Cl2NO2 and a molecular weight of 200.06 g/mol. Its IUPAC name is 2,2-dichloro-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(3-methoxypropyl)acetamide
PubChem CID3598343
Molecular FormulaC6H11Cl2NO2
Molecular Weight200.06 g/mol
Exact Mass199.02
IUPAC Name2,2-dichloro-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)C(Cl)Cl
InChIInChI=1S/C6H11Cl2NO2/c1-11-4-2-3-9-6(10)5(7)8/h5H,2-4H2,1H3,(H,9,10)
InChIKeyVBRBHTFROMNBPH-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.06
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide
CID 108574831
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
3-methoxypropylurea
CID 2064040
(2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide
CID 118216551
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
methyl (2S)-2-amino-6-[(2,2-dichloroacetyl)amino]hexanoate
CID 132968892
2-(3-methoxypropylcarbamoyl)-3,3-dimethylbutanoic acid
CID 116536707
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
2-cyano-N-(3-methoxypropyl)-3-oxobutanamide
CID 54231660

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2,2-dichloro-N-(3-methoxypropyl)acetamide (CID 3598343) is 2,2-dichloro-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(3-methoxypropyl)acetamide is COCCCNC(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(3-methoxypropyl)acetamide?
The InChIKey is VBRBHTFROMNBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NO2/c1-11-4-2-3-9-6(10)5(7)8/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 2,2-dichloro-N-(3-methoxypropyl)acetamide?
2,2-dichloro-N-(3-methoxypropyl)acetamide has a molecular weight of 200.06 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 3598343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).