N,N,N',N'-tetrakis(3-chloropropyl)oxamide

C14H24Cl4N2O2 — CID 88913937

IUPACN,N,N',N'-tetrakis(3-chloropropyl)oxamide
SMILESO=C(C(=O)N(CCCCl)CCCCl)N(CCCCl)CCCCl
InChIInChI=1S/C14H24Cl4N2O2/c15-5-1-9-19(10-2-6-16)13(21)14(22)20(11-3-7-17)12-4-8-18/h1-12H2
InChIKeyHDBMQGGOODCVJW-UHFFFAOYSA-N
MW394.17 g/mol
LogP3.16
Rot. Bonds12

About N,N,N',N'-tetrakis(3-chloropropyl)oxamide

N,N,N',N'-tetrakis(3-chloropropyl)oxamide (PubChem CID 88913937) has the molecular formula C14H24Cl4N2O2 and a molecular weight of 394.17 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(3-chloropropyl)oxamide.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(3-chloropropyl)oxamide
PubChem CID88913937
Molecular FormulaC14H24Cl4N2O2
Molecular Weight394.17 g/mol
Exact Mass392.06
IUPAC NameN,N,N',N'-tetrakis(3-chloropropyl)oxamide
SMILESO=C(C(=O)N(CCCCl)CCCCl)N(CCCCl)CCCCl
InChIInChI=1S/C14H24Cl4N2O2/c15-5-1-9-19(10-2-6-16)13(21)14(22)20(11-3-7-17)12-4-8-18/h1-12H2
InChIKeyHDBMQGGOODCVJW-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.17
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(3-chloropropyl)oxamide?
The IUPAC name of N,N,N',N'-tetrakis(3-chloropropyl)oxamide (CID 88913937) is N,N,N',N'-tetrakis(3-chloropropyl)oxamide.
What is the SMILES notation for N,N,N',N'-tetrakis(3-chloropropyl)oxamide?
The canonical SMILES for N,N,N',N'-tetrakis(3-chloropropyl)oxamide is O=C(C(=O)N(CCCCl)CCCCl)N(CCCCl)CCCCl.
What is the InChIKey of N,N,N',N'-tetrakis(3-chloropropyl)oxamide?
The InChIKey is HDBMQGGOODCVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Cl4N2O2/c15-5-1-9-19(10-2-6-16)13(21)14(22)20(11-3-7-17)12-4-8-18/h1-12H2.
What are the key properties of N,N,N',N'-tetrakis(3-chloropropyl)oxamide?
N,N,N',N'-tetrakis(3-chloropropyl)oxamide has a molecular weight of 394.17 g/mol, XLogP of 3.16, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(3-chloropropyl)oxamide is sourced from PubChem (CID 88913937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).