2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide

C9H17ClN2O2 — CID 134870084

IUPAC2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide
SMILESCCCCC(NC(=O)CN)C(=O)CCl
InChIInChI=1S/C9H17ClN2O2/c1-2-3-4-7(8(13)5-10)12-9(14)6-11/h7H,2-6,11H2,1H3,(H,12,14)
InChIKeyRADWYKXXELZDNT-UHFFFAOYSA-N
MW220.70 g/mol
LogP0.43
Rot. Bonds7

About 2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide

2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide (PubChem CID 134870084) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide
PubChem CID134870084
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide
SMILESCCCCC(NC(=O)CN)C(=O)CCl
InChIInChI=1S/C9H17ClN2O2/c1-2-3-4-7(8(13)5-10)12-9(14)6-11/h7H,2-6,11H2,1H3,(H,12,14)
InChIKeyRADWYKXXELZDNT-UHFFFAOYSA-N
XLogP0.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide?
The IUPAC name of 2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide (CID 134870084) is 2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide.
What is the SMILES notation for 2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide?
The canonical SMILES for 2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide is CCCCC(NC(=O)CN)C(=O)CCl.
What is the InChIKey of 2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide?
The InChIKey is RADWYKXXELZDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O2/c1-2-3-4-7(8(13)5-10)12-9(14)6-11/h7H,2-6,11H2,1H3,(H,12,14).
What are the key properties of 2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide?
2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide has a molecular weight of 220.70 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-chloro-2-oxoheptan-3-yl)acetamide is sourced from PubChem (CID 134870084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).