N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide

C8H15Cl2N3O2 — CID 162767897

IUPACN-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide
SMILESNCCNCCN(C(=O)CCl)C(=O)CCl
InChIInChI=1S/C8H15Cl2N3O2/c9-5-7(14)13(8(15)6-10)4-3-12-2-1-11/h12H,1-6,11H2
InChIKeySXTLJMKEWPOQRK-UHFFFAOYSA-N
MW256.13 g/mol
LogP-0.63
Rot. Bonds7

About N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide

N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide (PubChem CID 162767897) has the molecular formula C8H15Cl2N3O2 and a molecular weight of 256.13 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide
PubChem CID162767897
Molecular FormulaC8H15Cl2N3O2
Molecular Weight256.13 g/mol
Exact Mass255.05
IUPAC NameN-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide
SMILESNCCNCCN(C(=O)CCl)C(=O)CCl
InChIInChI=1S/C8H15Cl2N3O2/c9-5-7(14)13(8(15)6-10)4-3-12-2-1-11/h12H,1-6,11H2
InChIKeySXTLJMKEWPOQRK-UHFFFAOYSA-N
XLogP-0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminoethylamino)ethylamino]ethyl-dithiocarboxycarbamodithioic acid
CID 172718418
disodium;N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-N-sulfidocarbothioylcarbamodithioate
CID 172718417
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
3-(2-aminoethylamino)-N,N-dimethylpropanamide
CID 62141656
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
CID 87573177
N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide
CID 123810886
acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
CID 19091199
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide (CID 162767897) is N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide is NCCNCCN(C(=O)CCl)C(=O)CCl.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide?
The InChIKey is SXTLJMKEWPOQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2N3O2/c9-5-7(14)13(8(15)6-10)4-3-12-2-1-11/h12H,1-6,11H2.
What are the key properties of N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide?
N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide has a molecular weight of 256.13 g/mol, XLogP of -0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide is sourced from PubChem (CID 162767897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).