(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide

C7H14ClNO — CID 14711535

IUPAC(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide
SMILESCC[C@H](C)NC(=O)[C@@H](C)Cl
InChIInChI=1S/C7H14ClNO/c1-4-5(2)9-7(10)6(3)8/h5-6H,4H2,1-3H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyRECKOKCQSMADRC-NTSWFWBYSA-N
MW163.65 g/mol
LogP1.53
Rot. Bonds3

About (2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide

(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide (PubChem CID 14711535) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide
PubChem CID14711535
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide
SMILESCC[C@H](C)NC(=O)[C@@H](C)Cl
InChIInChI=1S/C7H14ClNO/c1-4-5(2)9-7(10)6(3)8/h5-6H,4H2,1-3H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyRECKOKCQSMADRC-NTSWFWBYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.53
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

N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
(2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide
CID 92660565
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
N-butan-2-yl-2-propylpentanamide
CID 115532227
N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 7039939
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
N-butan-2-yl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748455
N-butan-2-ylcarbamoyl iodide
CID 118554163
N-butan-2-yl-2-(2-methylpropylamino)propanamide
CID 43113054
N'-[(2R)-butan-2-yl]oxamide
CID 124605597
3-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]-ethylamino]propanoic acid
CID 61010078
2-chloro-N-(3-ethylpentan-2-ylcarbamoyl)propanamide
CID 63837506

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide?
The IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide (CID 14711535) is (2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide.
What is the SMILES notation for (2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide?
The canonical SMILES for (2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide is CC[C@H](C)NC(=O)[C@@H](C)Cl.
What is the InChIKey of (2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide?
The InChIKey is RECKOKCQSMADRC-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-4-5(2)9-7(10)6(3)8/h5-6H,4H2,1-3H3,(H,9,10)/t5-,6+/m0/s1.
What are the key properties of (2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide?
(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide has a molecular weight of 163.65 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide is sourced from PubChem (CID 14711535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).