N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide

C5H8Cl2N2O2 — CID 130754670

IUPACN-(2-amino-2-oxoethyl)-2,2-dichloropropanamide
SMILESCC(Cl)(Cl)C(=O)NCC(N)=O
InChIInChI=1S/C5H8Cl2N2O2/c1-5(6,7)4(11)9-2-3(8)10/h2H2,1H3,(H2,8,10)(H,9,11)
InChIKeyPEGDPFKUPCQOKV-UHFFFAOYSA-N
MW199.04 g/mol
LogP-0.22
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide

N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide (PubChem CID 130754670) has the molecular formula C5H8Cl2N2O2 and a molecular weight of 199.04 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,2-dichloropropanamide
PubChem CID130754670
Molecular FormulaC5H8Cl2N2O2
Molecular Weight199.04 g/mol
Exact Mass198.00
IUPAC NameN-(2-amino-2-oxoethyl)-2,2-dichloropropanamide
SMILESCC(Cl)(Cl)C(=O)NCC(N)=O
InChIInChI=1S/C5H8Cl2N2O2/c1-5(6,7)4(11)9-2-3(8)10/h2H2,1H3,(H2,8,10)(H,9,11)
InChIKeyPEGDPFKUPCQOKV-UHFFFAOYSA-N
XLogP-0.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.04
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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methanamine;methyl N-(2-amino-2-oxoethyl)carbamate;propane
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N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide
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tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
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1-(2,2-dichloropropanoylamino)-3-ethylurea
CID 130675904
2-(chloroamino)acetamide
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2,2-dichloro-N-diaminophosphinothioylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide (CID 130754670) is N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide is CC(Cl)(Cl)C(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide?
The InChIKey is PEGDPFKUPCQOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2N2O2/c1-5(6,7)4(11)9-2-3(8)10/h2H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide?
N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide has a molecular weight of 199.04 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide is sourced from PubChem (CID 130754670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).