2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide

C5H9Cl2NO3 — CID 139215553

IUPAC2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide
SMILESCCC(O)(O)NC(=O)C(Cl)Cl
InChIInChI=1S/C5H9Cl2NO3/c1-2-5(10,11)8-4(9)3(6)7/h3,10-11H,2H2,1H3,(H,8,9)
InChIKeyPVASFRKIGJHDPD-UHFFFAOYSA-N
MW202.04 g/mol
LogP-0.05
Rot. Bonds3

About 2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide

2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide (PubChem CID 139215553) has the molecular formula C5H9Cl2NO3 and a molecular weight of 202.04 g/mol. Its IUPAC name is 2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide
PubChem CID139215553
Molecular FormulaC5H9Cl2NO3
Molecular Weight202.04 g/mol
Exact Mass201.00
IUPAC Name2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide
SMILESCCC(O)(O)NC(=O)C(Cl)Cl
InChIInChI=1S/C5H9Cl2NO3/c1-2-5(10,11)8-4(9)3(6)7/h3,10-11H,2H2,1H3,(H,8,9)
InChIKeyPVASFRKIGJHDPD-UHFFFAOYSA-N
XLogP-0.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide?
The IUPAC name of 2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide (CID 139215553) is 2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide is CCC(O)(O)NC(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide?
The InChIKey is PVASFRKIGJHDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2NO3/c1-2-5(10,11)8-4(9)3(6)7/h3,10-11H,2H2,1H3,(H,8,9).
What are the key properties of 2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide?
2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide has a molecular weight of 202.04 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide is sourced from PubChem (CID 139215553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).