2-chloro-N-(4-methylpentan-2-yl)acetamide

C8H16ClNO — CID 43372230

IUPAC2-chloro-N-(4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(C)NC(=O)CCl
InChIInChI=1S/C8H16ClNO/c1-6(2)4-7(3)10-8(11)5-9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyYXADVZWXGWTJPY-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.78
Rot. Bonds4

About 2-chloro-N-(4-methylpentan-2-yl)acetamide

2-chloro-N-(4-methylpentan-2-yl)acetamide (PubChem CID 43372230) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-chloro-N-(4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylpentan-2-yl)acetamide
PubChem CID43372230
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-chloro-N-(4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(C)NC(=O)CCl
InChIInChI=1S/C8H16ClNO/c1-6(2)4-7(3)10-8(11)5-9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyYXADVZWXGWTJPY-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-(heptan-2-yl)acetamide
CID 244074
2-chloro-N-(4-methylcyclohexyl)acetamide
CID 2118150
2-chloro-N-(3-methylbutyl)acetamide
CID 2384240
2-Chloro-N-(2-propylpentyl)ethanimidic acid
CID 218533
Acetamide, 2-chloro-N-(1-methyl-2-propylpentyl)-
CID 3040307
2,2-Dichloro-N-(3-propylhexan-2-yl)ethanimidic acid
CID 3040308
2-chloro-N-(4-methylcyclohexyl)propanamide
CID 24711841
2-chloro-N-(pentan-2-yl)acetamide
CID 4048512
n-(4-Methylpentan-2-yl)acetamide
CID 291448
2-chloro-N-(2-methylcyclohexyl)acetamide
CID 3633284
2-chloro-N-(1-cyclopropylethyl)acetamide
CID 16226952
2-chloro-N-(pentan-2-yl)propanamide
CID 24710832

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(4-methylpentan-2-yl)acetamide (CID 43372230) is 2-chloro-N-(4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4-methylpentan-2-yl)acetamide is CC(C)CC(C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(4-methylpentan-2-yl)acetamide?
The InChIKey is YXADVZWXGWTJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-6(2)4-7(3)10-8(11)5-9/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-chloro-N-(4-methylpentan-2-yl)acetamide?
2-chloro-N-(4-methylpentan-2-yl)acetamide has a molecular weight of 177.67 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 43372230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).