N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide

C8H16Cl2N2O6P2 — CID 2337856

IUPACN,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide
SMILESCCOP(=O)(CCl)NC(=O)C(=O)NP(=O)(CCl)OCC
InChIInChI=1S/C8H16Cl2N2O6P2/c1-3-17-19(15,5-9)11-7(13)8(14)12-20(16,6-10)18-4-2/h3-6H2,1-2H3,(H,11,13,15)(H,12,14,16)
InChIKeyMFDGZQYRJWBVDP-UHFFFAOYSA-N
MW369.08 g/mol
LogP2.07
Rot. Bonds8

About N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide

N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide (PubChem CID 2337856) has the molecular formula C8H16Cl2N2O6P2 and a molecular weight of 369.08 g/mol. Its IUPAC name is N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide.

Molecular Properties

Compound NameN,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide
PubChem CID2337856
Molecular FormulaC8H16Cl2N2O6P2
Molecular Weight369.08 g/mol
Exact Mass367.99
IUPAC NameN,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide
SMILESCCOP(=O)(CCl)NC(=O)C(=O)NP(=O)(CCl)OCC
InChIInChI=1S/C8H16Cl2N2O6P2/c1-3-17-19(15,5-9)11-7(13)8(14)12-20(16,6-10)18-4-2/h3-6H2,1-2H3,(H,11,13,15)(H,12,14,16)
InChIKeyMFDGZQYRJWBVDP-UHFFFAOYSA-N
XLogP2.07
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.08
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[ethoxy(ethyl)phosphoryl]methanamine
CID 165354105
hydroxymethoxy-N-propanoylphosphonamidic acid
CID 87902749
1-chloro-1-diethoxyphosphorylbutan-2-one
CID 13428109
2-chloro-N-diethoxyphosphorylethanamine
CID 11127656
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
acetic acid;triethyl phosphate
CID 161446956
ethoxy-N-methylphosphonamidic acid
CID 20842965
diethyl hydrogen phosphate;scandium
CID 54607585
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
CID 54611578
CID 54611578
alumane;ethyl dihydrogen phosphate
CID 173113989
diethyl hydrogen phosphate;sulfane
CID 88774651

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide?
The IUPAC name of N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide (CID 2337856) is N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide.
What is the SMILES notation for N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide?
The canonical SMILES for N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide is CCOP(=O)(CCl)NC(=O)C(=O)NP(=O)(CCl)OCC.
What is the InChIKey of N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide?
The InChIKey is MFDGZQYRJWBVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2N2O6P2/c1-3-17-19(15,5-9)11-7(13)8(14)12-20(16,6-10)18-4-2/h3-6H2,1-2H3,(H,11,13,15)(H,12,14,16).
What are the key properties of N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide?
N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide has a molecular weight of 369.08 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[chloromethyl(ethoxy)phosphoryl]oxamide is sourced from PubChem (CID 2337856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).