(2R)-2-chloro-N-methylpropanamide

C4H8ClNO — CID 7130812

IUPAC(2R)-2-chloro-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)Cl
InChIInChI=1S/C4H8ClNO/c1-3(5)4(7)6-2/h3H,1-2H3,(H,6,7)/t3-/m1/s1
InChIKeyNKUQJMNRULPRAM-GSVOUGTGSA-N
MW121.57 g/mol
LogP0.36
Rot. Bonds1

About (2R)-2-chloro-N-methylpropanamide

(2R)-2-chloro-N-methylpropanamide (PubChem CID 7130812) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is (2R)-2-chloro-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-methylpropanamide
PubChem CID7130812
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC Name(2R)-2-chloro-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)Cl
InChIInChI=1S/C4H8ClNO/c1-3(5)4(7)6-2/h3H,1-2H3,(H,6,7)/t3-/m1/s1
InChIKeyNKUQJMNRULPRAM-GSVOUGTGSA-N
XLogP0.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloroamino)-N-methylpropanamide
CID 19827989
(2R)-2-chloro-N-methyl-3-oxobutanamide
CID 6999875
methyl N-[(2R)-2-chloropropanoyl]carbamate
CID 7130835
(2R)-2-(chloroamino)-N,3-dimethylbutanamide
CID 88902514
2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
(2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide
CID 92660565
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide
CID 14711535
N-(2-aminoethyl)-2-chloropropanamide
CID 61250987
3-(2-chloropropanoylamino)-N-methylbenzamide
CID 43244627
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103881719
N',2-dimethylpropanediamide
CID 19785845

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-methylpropanamide?
The IUPAC name of (2R)-2-chloro-N-methylpropanamide (CID 7130812) is (2R)-2-chloro-N-methylpropanamide.
What is the SMILES notation for (2R)-2-chloro-N-methylpropanamide?
The canonical SMILES for (2R)-2-chloro-N-methylpropanamide is CNC(=O)[C@@H](C)Cl.
What is the InChIKey of (2R)-2-chloro-N-methylpropanamide?
The InChIKey is NKUQJMNRULPRAM-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H8ClNO/c1-3(5)4(7)6-2/h3H,1-2H3,(H,6,7)/t3-/m1/s1.
What are the key properties of (2R)-2-chloro-N-methylpropanamide?
(2R)-2-chloro-N-methylpropanamide has a molecular weight of 121.57 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-methylpropanamide is sourced from PubChem (CID 7130812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).