2-amino-N-(3-chloro-2-oxopropyl)acetamide

C5H9ClN2O2 — CID 134891665

IUPAC2-amino-N-(3-chloro-2-oxopropyl)acetamide
SMILESNCC(=O)NCC(=O)CCl
InChIInChI=1S/C5H9ClN2O2/c6-1-4(9)3-8-5(10)2-7/h1-3,7H2,(H,8,10)
InChIKeyISRCPJYKOSGQIT-UHFFFAOYSA-N
MW164.59 g/mol
LogP-1.13
Rot. Bonds4

About 2-amino-N-(3-chloro-2-oxopropyl)acetamide

2-amino-N-(3-chloro-2-oxopropyl)acetamide (PubChem CID 134891665) has the molecular formula C5H9ClN2O2 and a molecular weight of 164.59 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-2-oxopropyl)acetamide
PubChem CID134891665
Molecular FormulaC5H9ClN2O2
Molecular Weight164.59 g/mol
Exact Mass164.04
IUPAC Name2-amino-N-(3-chloro-2-oxopropyl)acetamide
SMILESNCC(=O)NCC(=O)CCl
InChIInChI=1S/C5H9ClN2O2/c6-1-4(9)3-8-5(10)2-7/h1-3,7H2,(H,8,10)
InChIKeyISRCPJYKOSGQIT-UHFFFAOYSA-N
XLogP-1.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3-chloropropyl)oxamide
CID 1581494
Chloracetylglycinamid
CID 28605345
2-chloro-N-(2-oxopropyl)acetamide
CID 55286049
2-amino-N-(3-chloropropyl)-2-fluoroacetamide
CID 169105653
2-amino-N-(3-chloro-2-oxopropyl)propanamide
CID 134870301
2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide
CID 134891663
2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide
CID 134891682
Acetamide, 2-[(chloroacetyl)amino]-N-methyl-
CID 9327080
N-(2-Amino-2-oxoethyl)-4-chlorobutanamide
CID 14419005
3-Chloro-1-piperazin-1-ylpropane-1,2-dione
CID 20547455
N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide
CID 20806745
3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43375057

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-2-oxopropyl)acetamide?
The IUPAC name of 2-amino-N-(3-chloro-2-oxopropyl)acetamide (CID 134891665) is 2-amino-N-(3-chloro-2-oxopropyl)acetamide.
What is the SMILES notation for 2-amino-N-(3-chloro-2-oxopropyl)acetamide?
The canonical SMILES for 2-amino-N-(3-chloro-2-oxopropyl)acetamide is NCC(=O)NCC(=O)CCl.
What is the InChIKey of 2-amino-N-(3-chloro-2-oxopropyl)acetamide?
The InChIKey is ISRCPJYKOSGQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2O2/c6-1-4(9)3-8-5(10)2-7/h1-3,7H2,(H,8,10).
What are the key properties of 2-amino-N-(3-chloro-2-oxopropyl)acetamide?
2-amino-N-(3-chloro-2-oxopropyl)acetamide has a molecular weight of 164.59 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-2-oxopropyl)acetamide is sourced from PubChem (CID 134891665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).