2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide

C7H13ClN2O2 — CID 134891682

IUPAC2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide
SMILESCC(N)C(=O)NC(C)C(=O)CCl
InChIInChI=1S/C7H13ClN2O2/c1-4(9)7(12)10-5(2)6(11)3-8/h4-5H,3,9H2,1-2H3,(H,10,12)
InChIKeyDPDBOLKFPGBXQA-UHFFFAOYSA-N
MW192.65 g/mol
LogP-0.35
Rot. Bonds4

About 2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide

2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide (PubChem CID 134891682) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide
PubChem CID134891682
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Name2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide
SMILESCC(N)C(=O)NC(C)C(=O)CCl
InChIInChI=1S/C7H13ClN2O2/c1-4(9)7(12)10-5(2)6(11)3-8/h4-5H,3,9H2,1-2H3,(H,10,12)
InChIKeyDPDBOLKFPGBXQA-UHFFFAOYSA-N
XLogP-0.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 5-0.35
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-(4-chloro-3-oxobutan-2-yl)propanamide?
The IUPAC name of 2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide (CID 134891682) is 2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide.
What is the SMILES notation for 2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide?
The canonical SMILES for 2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide is CC(N)C(=O)NC(C)C(=O)CCl.
What is the InChIKey of 2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide?
The InChIKey is DPDBOLKFPGBXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O2/c1-4(9)7(12)10-5(2)6(11)3-8/h4-5H,3,9H2,1-2H3,(H,10,12).
What are the key properties of 2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide?
2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide has a molecular weight of 192.65 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide is sourced from PubChem (CID 134891682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).