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

C5H8ClNO2 — CID 6999875

IUPAC(2R)-2-chloro-N-methyl-3-oxobutanamide
SMILESCNC(=O)[C@H](Cl)C(C)=O
InChIInChI=1S/C5H8ClNO2/c1-3(8)4(6)5(9)7-2/h4H,1-2H3,(H,7,9)/t4-/m1/s1
InChIKeyXIWMZCRVSYHMER-SCSAIBSYSA-N
MW149.58 g/mol
LogP-0.07
Rot. Bonds2

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

(2R)-2-chloro-N-methyl-3-oxobutanamide (PubChem CID 6999875) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is (2R)-2-chloro-N-methyl-3-oxobutanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-methyl-3-oxobutanamide
PubChem CID6999875
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name(2R)-2-chloro-N-methyl-3-oxobutanamide
SMILESCNC(=O)[C@H](Cl)C(C)=O
InChIInChI=1S/C5H8ClNO2/c1-3(8)4(6)5(9)7-2/h4H,1-2H3,(H,7,9)/t4-/m1/s1
InChIKeyXIWMZCRVSYHMER-SCSAIBSYSA-N
XLogP-0.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 5-0.07
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

(2R)-2-chloro-N-methylpropanamide
CID 7130812
(2R)-2-chloro-3-oxo-N-phenylbutanamide
CID 737830
2-chloro-N-(4-chlorophenyl)-3-oxobutanamide
CID 2778503
(2R)-2-chloro-3-oxobutanamide
CID 98075888
1,1-dichloropropan-2-one
CID 10567
(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide
CID 59866873
2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
3-chloro-4-hydroxypent-4-en-2-one
CID 139133826
2-chloro-3-oxobutanoic acid;methyl 3-oxobutanoate
CID 159844202
2-(chloroamino)-N-methylpropanamide
CID 19827989
3-chloro-1-hydroxypentane-2,4-dione
CID 167631445
(2S)-3-hydroxy-N,2-dimethylpropanamide
CID 58246856

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-methyl-3-oxobutanamide?
The IUPAC name of (2R)-2-chloro-N-methyl-3-oxobutanamide (CID 6999875) is (2R)-2-chloro-N-methyl-3-oxobutanamide.
What is the SMILES notation for (2R)-2-chloro-N-methyl-3-oxobutanamide?
The canonical SMILES for (2R)-2-chloro-N-methyl-3-oxobutanamide is CNC(=O)[C@H](Cl)C(C)=O.
What is the InChIKey of (2R)-2-chloro-N-methyl-3-oxobutanamide?
The InChIKey is XIWMZCRVSYHMER-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8ClNO2/c1-3(8)4(6)5(9)7-2/h4H,1-2H3,(H,7,9)/t4-/m1/s1.
What are the key properties of (2R)-2-chloro-N-methyl-3-oxobutanamide?
(2R)-2-chloro-N-methyl-3-oxobutanamide has a molecular weight of 149.58 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-methyl-3-oxobutanamide is sourced from PubChem (CID 6999875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).