N-[amino(chloro)methylidene]carbamoyl chloride

C2H2Cl2N2O — CID 154045247

IUPACN-[amino(chloro)methylidene]carbamoyl chloride
SMILESNC(Cl)=NC(=O)Cl
InChIInChI=1S/C2H2Cl2N2O/c3-1(5)6-2(4)7/h(H2,5,6,7)
InChIKeyCGTLJMXCAWOMBK-UHFFFAOYSA-N
MW140.96 g/mol
LogP0.90
Rot. Bonds

About N-[amino(chloro)methylidene]carbamoyl chloride

N-[amino(chloro)methylidene]carbamoyl chloride (PubChem CID 154045247) has the molecular formula C2H2Cl2N2O and a molecular weight of 140.96 g/mol. Its IUPAC name is N-[amino(chloro)methylidene]carbamoyl chloride.

Molecular Properties

Compound NameN-[amino(chloro)methylidene]carbamoyl chloride
PubChem CID154045247
Molecular FormulaC2H2Cl2N2O
Molecular Weight140.96 g/mol
Exact Mass139.95
IUPAC NameN-[amino(chloro)methylidene]carbamoyl chloride
SMILESNC(Cl)=NC(=O)Cl
InChIInChI=1S/C2H2Cl2N2O/c3-1(5)6-2(4)7/h(H2,5,6,7)
InChIKeyCGTLJMXCAWOMBK-UHFFFAOYSA-N
XLogP0.90
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.96
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)carbamoyl chloride;methyl acetate
CID 174612836
N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride
CID 173476751
carbamoyl chloride;carbonochloridic acid
CID 88841427
carbamoyl chloride;piperazine
CID 22220031
N'-[(1E)-1-chlorobuta-1,3-dienyl]carbamimidoyl chloride
CID 173296957
1,1-dichloroethene;urea
CID 174817007
diamino(113C)methanone
CID 636363
N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride
CID 174159458
dichlorozinc;urea
CID 158861377
azanium urea
CID 22635082
ruthenium;urea
CID 161030938
CID 175730085
CID 175730085

Frequently Asked Questions

What is the IUPAC name of N-[amino(chloro)methylidene]carbamoyl chloride?
The IUPAC name of N-[amino(chloro)methylidene]carbamoyl chloride (CID 154045247) is N-[amino(chloro)methylidene]carbamoyl chloride.
What is the SMILES notation for N-[amino(chloro)methylidene]carbamoyl chloride?
The canonical SMILES for N-[amino(chloro)methylidene]carbamoyl chloride is NC(Cl)=NC(=O)Cl.
What is the InChIKey of N-[amino(chloro)methylidene]carbamoyl chloride?
The InChIKey is CGTLJMXCAWOMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2N2O/c3-1(5)6-2(4)7/h(H2,5,6,7).
What are the key properties of N-[amino(chloro)methylidene]carbamoyl chloride?
N-[amino(chloro)methylidene]carbamoyl chloride has a molecular weight of 140.96 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(chloro)methylidene]carbamoyl chloride is sourced from PubChem (CID 154045247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).