dichloromethylurea

C2H4Cl2N2O — CID 23083847

IUPACdichloromethylurea
SMILESNC(=O)NC(Cl)Cl
InChIInChI=1S/C2H4Cl2N2O/c3-1(4)6-2(5)7/h1H,(H3,5,6,7)
InChIKeyQEMZNSKDTGKKFO-UHFFFAOYSA-N
MW142.97 g/mol
LogP0.42
Rot. Bonds1

About dichloromethylurea

dichloromethylurea (PubChem CID 23083847) has the molecular formula C2H4Cl2N2O and a molecular weight of 142.97 g/mol. Its IUPAC name is dichloromethylurea.

Molecular Properties

Compound Namedichloromethylurea
PubChem CID23083847
Molecular FormulaC2H4Cl2N2O
Molecular Weight142.97 g/mol
Exact Mass141.97
IUPAC Namedichloromethylurea
SMILESNC(=O)NC(Cl)Cl
InChIInChI=1S/C2H4Cl2N2O/c3-1(4)6-2(5)7/h1H,(H3,5,6,7)
InChIKeyQEMZNSKDTGKKFO-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.97
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(carbamoylamino)-2-chloroacetic acid
CID 171618791
chloro 2-(carbamoylamino)-2-chloroacetate
CID 174668904
bis(carbamoylamino)methylphosphonic acid
CID 88731403
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
CID 174427848
CID 174427848
1,1-dichloroethane;urea
CID 158856998
1-(dimethylamino)ethylurea
CID 169101887
N'-(1-chloroethyl)oxamide
CID 175433952
(2S)-2-azaniumyl-2-(carbamoylamino)acetate
CID 46173475
[(1S)-2,2,2-tribromo-1-hydroxyethyl]urea
CID 92533116
1-sulfanylpropan-2-ylurea
CID 89224596
[(4R,5S)-5-(carbamoylamino)octan-4-yl]urea
CID 92527887

Frequently Asked Questions

What is the IUPAC name of dichloromethylurea?
The IUPAC name of dichloromethylurea (CID 23083847) is dichloromethylurea.
What is the SMILES notation for dichloromethylurea?
The canonical SMILES for dichloromethylurea is NC(=O)NC(Cl)Cl.
What is the InChIKey of dichloromethylurea?
The InChIKey is QEMZNSKDTGKKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2N2O/c3-1(4)6-2(5)7/h1H,(H3,5,6,7).
What are the key properties of dichloromethylurea?
dichloromethylurea has a molecular weight of 142.97 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethylurea is sourced from PubChem (CID 23083847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).