2-chloro-N-pentan-2-ylpropanamide

C8H16ClNO — CID 24710832

IUPAC2-chloro-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Cl
InChIInChI=1S/C8H16ClNO/c1-4-5-6(2)10-8(11)7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyFBRWSGWUMCNOPN-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.92
Rot. Bonds4

About 2-chloro-N-pentan-2-ylpropanamide

2-chloro-N-pentan-2-ylpropanamide (PubChem CID 24710832) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-chloro-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-chloro-N-pentan-2-ylpropanamide
PubChem CID24710832
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-chloro-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Cl
InChIInChI=1S/C8H16ClNO/c1-4-5-6(2)10-8(11)7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyFBRWSGWUMCNOPN-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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
N-butyl-2-chloroacetamide
CID 219645
2-Chloro-N-cyclohexylacetamide
CID 222365
2-chloro-N-dodecylacetamide
CID 296059
2-chloro-N-cyclopentylacetamide
CID 1518777
2-chloro-N-(propan-2-yl)propanamide
CID 4961779
2-chloro-N-pentylacetamide
CID 222360
2-chloro-N-hexylacetamide
CID 138456
2-Chloro-N-octylacetamide
CID 222375
2-chloro-N-(heptan-2-yl)acetamide
CID 244074
2-Chloro-n-decylacetamide
CID 233838
2-chloro-N-cyclohexylpropanamide
CID 3613317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pentan-2-ylpropanamide?
The IUPAC name of 2-chloro-N-pentan-2-ylpropanamide (CID 24710832) is 2-chloro-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-chloro-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-chloro-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-pentan-2-ylpropanamide?
The InChIKey is FBRWSGWUMCNOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-4-5-6(2)10-8(11)7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-chloro-N-pentan-2-ylpropanamide?
2-chloro-N-pentan-2-ylpropanamide has a molecular weight of 177.67 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pentan-2-ylpropanamide is sourced from PubChem (CID 24710832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).