1-(2,2-dichloropropanoylamino)-3-ethylurea

C6H11Cl2N3O2 — CID 130675904

IUPAC1-(2,2-dichloropropanoylamino)-3-ethylurea
SMILESCCNC(=O)NNC(=O)C(C)(Cl)Cl
InChIInChI=1S/C6H11Cl2N3O2/c1-3-9-5(13)11-10-4(12)6(2,7)8/h3H2,1-2H3,(H,10,12)(H2,9,11,13)
InChIKeyCDICZPVGIHLYPU-UHFFFAOYSA-N
MW228.08 g/mol
LogP0.53
Rot. Bonds2

About 1-(2,2-dichloropropanoylamino)-3-ethylurea

1-(2,2-dichloropropanoylamino)-3-ethylurea (PubChem CID 130675904) has the molecular formula C6H11Cl2N3O2 and a molecular weight of 228.08 g/mol. Its IUPAC name is 1-(2,2-dichloropropanoylamino)-3-ethylurea.

Molecular Properties

Compound Name1-(2,2-dichloropropanoylamino)-3-ethylurea
PubChem CID130675904
Molecular FormulaC6H11Cl2N3O2
Molecular Weight228.08 g/mol
Exact Mass227.02
IUPAC Name1-(2,2-dichloropropanoylamino)-3-ethylurea
SMILESCCNC(=O)NNC(=O)C(C)(Cl)Cl
InChIInChI=1S/C6H11Cl2N3O2/c1-3-9-5(13)11-10-4(12)6(2,7)8/h3H2,1-2H3,(H,10,12)(H2,9,11,13)
InChIKeyCDICZPVGIHLYPU-UHFFFAOYSA-N
XLogP0.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(carbamoylamino)-3-ethylurea
CID 55206816
1,3-diethylurea;ethane
CID 142885504
ethane;N-ethyl-2,2-dimethylpropanamide
CID 142466715
2,2-dichloro-N-pentylpropanamide
CID 12827689
1-ethyl-3-(propan-2-ylamino)urea
CID 54144387
1,3-bis(ethylcarbamoyl)urea
CID 134915369
N-(2-amino-2-oxoethyl)-2,2-dichloropropanamide
CID 130754670
2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide
CID 10168574
2,2-dichloro-N-(cyclopropylmethyl)propanamide
CID 126988443
1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 115674453
2-chloro-N-(ethylcarbamoyl)acetamide
CID 2304790
N-ethyl-2,2,2-trifluoroacetamide
CID 581108

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dichloropropanoylamino)-3-ethylurea?
The IUPAC name of 1-(2,2-dichloropropanoylamino)-3-ethylurea (CID 130675904) is 1-(2,2-dichloropropanoylamino)-3-ethylurea.
What is the SMILES notation for 1-(2,2-dichloropropanoylamino)-3-ethylurea?
The canonical SMILES for 1-(2,2-dichloropropanoylamino)-3-ethylurea is CCNC(=O)NNC(=O)C(C)(Cl)Cl.
What is the InChIKey of 1-(2,2-dichloropropanoylamino)-3-ethylurea?
The InChIKey is CDICZPVGIHLYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2N3O2/c1-3-9-5(13)11-10-4(12)6(2,7)8/h3H2,1-2H3,(H,10,12)(H2,9,11,13).
What are the key properties of 1-(2,2-dichloropropanoylamino)-3-ethylurea?
1-(2,2-dichloropropanoylamino)-3-ethylurea has a molecular weight of 228.08 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichloropropanoylamino)-3-ethylurea is sourced from PubChem (CID 130675904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).