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

C9H18ClNO — CID 112704153

IUPAC2-chloro-N-(3,3-dimethylbutan-2-yl)propanamide
SMILESCC(Cl)C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C9H18ClNO/c1-6(10)8(12)11-7(2)9(3,4)5/h6-7H,1-5H3,(H,11,12)
InChIKeyWZNRZRYMCMQDFO-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.16
Rot. Bonds2

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

2-chloro-N-(3,3-dimethylbutan-2-yl)propanamide (PubChem CID 112704153) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethylbutan-2-yl)propanamide
PubChem CID112704153
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-chloro-N-(3,3-dimethylbutan-2-yl)propanamide
SMILESCC(Cl)C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C9H18ClNO/c1-6(10)8(12)11-7(2)9(3,4)5/h6-7H,1-5H3,(H,11,12)
InChIKeyWZNRZRYMCMQDFO-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.16
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-(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
2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide
CID 176757515
2-chloro-N-(3,3-dimethylbutan-2-yl)-2,3,3,3-tetrafluoropropanamide;ethane
CID 177964825
N-(2-chloroethyl)pivalamide
CID 28347358
2-chloro-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2453584
2-chloro-N-(3-methylbutyl)propanamide
CID 24707802
N-[(2S)-butan-2-yl]-2-chloroacetamide
CID 2304119
N-[(2R)-butan-2-yl]-2-chloroacetamide
CID 2304120
(2S)-2-chloro-N-propan-2-ylpropanamide
CID 2608653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-dimethylbutan-2-yl)propanamide?
The IUPAC name of 2-chloro-N-(3,3-dimethylbutan-2-yl)propanamide (CID 112704153) is 2-chloro-N-(3,3-dimethylbutan-2-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(3,3-dimethylbutan-2-yl)propanamide?
The canonical SMILES for 2-chloro-N-(3,3-dimethylbutan-2-yl)propanamide is CC(Cl)C(=O)NC(C)C(C)(C)C.
What is the InChIKey of 2-chloro-N-(3,3-dimethylbutan-2-yl)propanamide?
The InChIKey is WZNRZRYMCMQDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-6(10)8(12)11-7(2)9(3,4)5/h6-7H,1-5H3,(H,11,12).
What are the key properties of 2-chloro-N-(3,3-dimethylbutan-2-yl)propanamide?
2-chloro-N-(3,3-dimethylbutan-2-yl)propanamide has a molecular weight of 191.70 g/mol, XLogP of 2.16, 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)propanamide is sourced from PubChem (CID 112704153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).