N,N-dichloropropanamide;ethane-1,2-diol

C5H11Cl2NO3 — CID 87435163

IUPACN,N-dichloropropanamide;ethane-1,2-diol
SMILESCCC(=O)N(Cl)Cl.OCCO
InChIInChI=1S/C3H5Cl2NO.C2H6O2/c1-2-3(7)6(4)5;3-1-2-4/h2H2,1H3;3-4H,1-2H2
InChIKeyBRMVFGDGDQOHPD-UHFFFAOYSA-N
MW204.05 g/mol
LogP0.50
Rot. Bonds2

About N,N-dichloropropanamide;ethane-1,2-diol

N,N-dichloropropanamide;ethane-1,2-diol (PubChem CID 87435163) has the molecular formula C5H11Cl2NO3 and a molecular weight of 204.05 g/mol. Its IUPAC name is N,N-dichloropropanamide;ethane-1,2-diol.

Molecular Properties

Compound NameN,N-dichloropropanamide;ethane-1,2-diol
PubChem CID87435163
Molecular FormulaC5H11Cl2NO3
Molecular Weight204.05 g/mol
Exact Mass203.01
IUPAC NameN,N-dichloropropanamide;ethane-1,2-diol
SMILESCCC(=O)N(Cl)Cl.OCCO
InChIInChI=1S/C3H5Cl2NO.C2H6O2/c1-2-3(7)6(4)5;3-1-2-4/h2H2,1H3;3-4H,1-2H2
InChIKeyBRMVFGDGDQOHPD-UHFFFAOYSA-N
XLogP0.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.05
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;pentan-3-one
CID 87374843
ethane;N-(2-hydroxyethyl)-N-methylpropanamide
CID 143051262
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586
N-formyl-N-hydroxypropanamide
CID 88931883
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922
bis(ethane-1,2-diol);bis(propan-2-one)
CID 158462178
diethyl carbonate;ethane-1,2-diol
CID 19764063
N-bromo-N-methylpropanamide
CID 123781354
N-methylsulfanyl-N-propanoylpropanamide
CID 174372922
N,N-bis[2-(2-hydroxyethoxy)ethyl]propanamide
CID 91261493
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284
N-methyl-N-[methyl-bis[methyl(propanoyl)amino]silyl]propanamide
CID 178078649

Frequently Asked Questions

What is the IUPAC name of N,N-dichloropropanamide;ethane-1,2-diol?
The IUPAC name of N,N-dichloropropanamide;ethane-1,2-diol (CID 87435163) is N,N-dichloropropanamide;ethane-1,2-diol.
What is the SMILES notation for N,N-dichloropropanamide;ethane-1,2-diol?
The canonical SMILES for N,N-dichloropropanamide;ethane-1,2-diol is CCC(=O)N(Cl)Cl.OCCO.
What is the InChIKey of N,N-dichloropropanamide;ethane-1,2-diol?
The InChIKey is BRMVFGDGDQOHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2NO.C2H6O2/c1-2-3(7)6(4)5;3-1-2-4/h2H2,1H3;3-4H,1-2H2.
What are the key properties of N,N-dichloropropanamide;ethane-1,2-diol?
N,N-dichloropropanamide;ethane-1,2-diol has a molecular weight of 204.05 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloropropanamide;ethane-1,2-diol is sourced from PubChem (CID 87435163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).