N-carbamoylcarbamoyl chloride;carbamoyl chloride

C3H5Cl2N3O3 — CID 170170459

IUPACN-carbamoylcarbamoyl chloride;carbamoyl chloride
SMILESNC(=O)Cl.NC(=O)NC(=O)Cl
InChIInChI=1S/C2H3ClN2O2.CH2ClNO/c3-1(6)5-2(4)7;2-1(3)4/h(H3,4,5,6,7);(H2,3,4)
InChIKeyNYASFQKLCRSYLE-UHFFFAOYSA-N
MW202.00 g/mol
LogP0.32
Rot. Bonds

About N-carbamoylcarbamoyl chloride;carbamoyl chloride

N-carbamoylcarbamoyl chloride;carbamoyl chloride (PubChem CID 170170459) has the molecular formula C3H5Cl2N3O3 and a molecular weight of 202.00 g/mol. Its IUPAC name is N-carbamoylcarbamoyl chloride;carbamoyl chloride.

Molecular Properties

Compound NameN-carbamoylcarbamoyl chloride;carbamoyl chloride
PubChem CID170170459
Molecular FormulaC3H5Cl2N3O3
Molecular Weight202.00 g/mol
Exact Mass200.97
IUPAC NameN-carbamoylcarbamoyl chloride;carbamoyl chloride
SMILESNC(=O)Cl.NC(=O)NC(=O)Cl
InChIInChI=1S/C2H3ClN2O2.CH2ClNO/c3-1(6)5-2(4)7;2-1(3)4/h(H3,4,5,6,7);(H2,3,4)
InChIKeyNYASFQKLCRSYLE-UHFFFAOYSA-N
XLogP0.32
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.00
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbamoylurea;fluoroform
CID 174631914
carbamoyl chloride;carbonochloridic acid
CID 88841427
3-(carbamoylamino)-3-oxopropanoic acid
CID 10290858
CID 118590953
CID 118590953
carbamoylurea;copper;thiourea
CID 175029091
carbamoylcarbamic acid;carbamoylurea
CID 15920414
CID 174966153
CID 174966153
carbamoylcarbamic acid;formonitrile
CID 174795487
N-carbamoyl-2-(dichloroamino)acetamide
CID 87747728
N-(carbamoylcarbamoyl)carbamoyl fluoride
CID 22166147
1-carbamothioyl-3-carbamoylurea
CID 57033303
(carbamoylamino) N-carbamoylcarbamate
CID 57474139

Frequently Asked Questions

What is the IUPAC name of N-carbamoylcarbamoyl chloride;carbamoyl chloride?
The IUPAC name of N-carbamoylcarbamoyl chloride;carbamoyl chloride (CID 170170459) is N-carbamoylcarbamoyl chloride;carbamoyl chloride.
What is the SMILES notation for N-carbamoylcarbamoyl chloride;carbamoyl chloride?
The canonical SMILES for N-carbamoylcarbamoyl chloride;carbamoyl chloride is NC(=O)Cl.NC(=O)NC(=O)Cl.
What is the InChIKey of N-carbamoylcarbamoyl chloride;carbamoyl chloride?
The InChIKey is NYASFQKLCRSYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClN2O2.CH2ClNO/c3-1(6)5-2(4)7;2-1(3)4/h(H3,4,5,6,7);(H2,3,4).
What are the key properties of N-carbamoylcarbamoyl chloride;carbamoyl chloride?
N-carbamoylcarbamoyl chloride;carbamoyl chloride has a molecular weight of 202.00 g/mol, XLogP of 0.32, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoylcarbamoyl chloride;carbamoyl chloride is sourced from PubChem (CID 170170459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).