2-chloro-N-(3,3-dimethylbutan-2-yl)acetamide

C8H16ClNO — CID 87187794

IUPAC2-chloro-N-(3,3-dimethylbutan-2-yl)acetamide
SMILESCC(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)
InChIKeyXHHVAWWCHNJONK-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.78
Rot. Bonds2

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

2-chloro-N-(3,3-dimethylbutan-2-yl)acetamide (PubChem CID 87187794) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethylbutan-2-yl)acetamide
PubChem CID87187794
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-chloro-N-(3,3-dimethylbutan-2-yl)acetamide
SMILESCC(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)
InChIKeyXHHVAWWCHNJONK-UHFFFAOYSA-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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Related Compounds

2-chloro-N-(1-methylethyl)acetamide
CID 76171
2-chloro-N-(propan-2-yl)propanamide
CID 4961779
N-(butan-2-yl)-2-chloroacetamide
CID 3138632
2-Chloro-N-(1-methylpropyl)propanamide
CID 14711532
2-chloro-N-(pentan-2-yl)propanamide
CID 24710832
Acetamide, N-(1,2,2-trimethylpropyl)-
CID 9793813
Acetamide, N-[(1R)-1,2,2-trimethylpropyl]-
CID 11116174
N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 11205812
2-chloro-N-(3,3-dimethylbutan-2-yl)-2,2-difluoroacetamide
CID 131041699
2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide
CID 176757515
2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide
CID 177014597
2-chloro-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2453584

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-dimethylbutan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(3,3-dimethylbutan-2-yl)acetamide (CID 87187794) is 2-chloro-N-(3,3-dimethylbutan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3,3-dimethylbutan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3,3-dimethylbutan-2-yl)acetamide is CC(NC(=O)CCl)C(C)(C)C.
What is the InChIKey of 2-chloro-N-(3,3-dimethylbutan-2-yl)acetamide?
The InChIKey is XHHVAWWCHNJONK-UHFFFAOYSA-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).
What are the key properties of 2-chloro-N-(3,3-dimethylbutan-2-yl)acetamide?
2-chloro-N-(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-(3,3-dimethylbutan-2-yl)acetamide is sourced from PubChem (CID 87187794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).