(2R)-2-chloro-3-oxobutanamide

C4H6ClNO2 — CID 98075888

IUPAC(2R)-2-chloro-3-oxobutanamide
SMILESCC(=O)[C@@H](Cl)C(N)=O
InChIInChI=1S/C4H6ClNO2/c1-2(7)3(5)4(6)8/h3H,1H3,(H2,6,8)/t3-/m1/s1
InChIKeyAOOLFYMBFIGYDE-GSVOUGTGSA-N
MW135.55 g/mol
LogP-0.33
Rot. Bonds2

About (2R)-2-chloro-3-oxobutanamide

(2R)-2-chloro-3-oxobutanamide (PubChem CID 98075888) has the molecular formula C4H6ClNO2 and a molecular weight of 135.55 g/mol. Its IUPAC name is (2R)-2-chloro-3-oxobutanamide.

Molecular Properties

Compound Name(2R)-2-chloro-3-oxobutanamide
PubChem CID98075888
Molecular FormulaC4H6ClNO2
Molecular Weight135.55 g/mol
Exact Mass135.01
IUPAC Name(2R)-2-chloro-3-oxobutanamide
SMILESCC(=O)[C@@H](Cl)C(N)=O
InChIInChI=1S/C4H6ClNO2/c1-2(7)3(5)4(6)8/h3H,1H3,(H2,6,8)/t3-/m1/s1
InChIKeyAOOLFYMBFIGYDE-GSVOUGTGSA-N
XLogP-0.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.55
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-oxopentanamide
CID 57232001
1,1-dichloropropan-2-one
CID 10567
(2R,3S)-2-amino-3-chlorobutanamide
CID 71420306
3-chloro-4-hydroxypent-4-en-2-one
CID 139133826
1,1-dichloroethane;urea
CID 158856998
3-chloro-1-hydroxypentane-2,4-dione
CID 167631445
(2R)-2-chloro-N-methyl-3-oxobutanamide
CID 6999875
2-methylpropanamide;bis(propan-2-one)
CID 174404145
acetamide
CID 139024037
2-formyl-3-oxobutanamide
CID 45085336
(3R)-3-acetamido-4-oxopentanamide
CID 58664367
acetamide;titanium
CID 159756610

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-3-oxobutanamide?
The IUPAC name of (2R)-2-chloro-3-oxobutanamide (CID 98075888) is (2R)-2-chloro-3-oxobutanamide.
What is the SMILES notation for (2R)-2-chloro-3-oxobutanamide?
The canonical SMILES for (2R)-2-chloro-3-oxobutanamide is CC(=O)[C@@H](Cl)C(N)=O.
What is the InChIKey of (2R)-2-chloro-3-oxobutanamide?
The InChIKey is AOOLFYMBFIGYDE-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H6ClNO2/c1-2(7)3(5)4(6)8/h3H,1H3,(H2,6,8)/t3-/m1/s1.
What are the key properties of (2R)-2-chloro-3-oxobutanamide?
(2R)-2-chloro-3-oxobutanamide has a molecular weight of 135.55 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-3-oxobutanamide is sourced from PubChem (CID 98075888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).