2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide

C8H16ClNO — CID 87187793

IUPAC2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
SMILESC[C@@H](NC(=O)CCl)C(C)(C)C
InChIInChI=1S/C8H16ClNO/c1-6(8(2,3)4)10-7(11)5-9/h6H,5H2,1-4H3,(H,10,11)/t6-/m1/s1
InChIKeyXHHVAWWCHNJONK-ZCFIWIBFSA-N
MW177.67 g/mol
LogP1.78
Rot. Bonds2

About 2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide

2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide (PubChem CID 87187793) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
PubChem CID87187793
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
SMILESC[C@@H](NC(=O)CCl)C(C)(C)C
InChIInChI=1S/C8H16ClNO/c1-6(8(2,3)4)10-7(11)5-9/h6H,5H2,1-4H3,(H,10,11)/t6-/m1/s1
InChIKeyXHHVAWWCHNJONK-ZCFIWIBFSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide (CID 87187793) is 2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide is C[C@@H](NC(=O)CCl)C(C)(C)C.
What is the InChIKey of 2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide?
The InChIKey is XHHVAWWCHNJONK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-6(8(2,3)4)10-7(11)5-9/h6H,5H2,1-4H3,(H,10,11)/t6-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide?
2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide has a molecular weight of 177.67 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide is sourced from PubChem (CID 87187793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).