2,2-dichloro-N-pentylpropanamide

C8H15Cl2NO — CID 12827689

IUPAC2,2-dichloro-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)(Cl)Cl
InChIInChI=1S/C8H15Cl2NO/c1-3-4-5-6-11-7(12)8(2,9)10/h3-6H2,1-2H3,(H,11,12)
InChIKeyFWSPMCLXOODZGP-UHFFFAOYSA-N
MW212.12 g/mol
LogP2.49
Rot. Bonds5

About 2,2-dichloro-N-pentylpropanamide

2,2-dichloro-N-pentylpropanamide (PubChem CID 12827689) has the molecular formula C8H15Cl2NO and a molecular weight of 212.12 g/mol. Its IUPAC name is 2,2-dichloro-N-pentylpropanamide.

Molecular Properties

Compound Name2,2-dichloro-N-pentylpropanamide
PubChem CID12827689
Molecular FormulaC8H15Cl2NO
Molecular Weight212.12 g/mol
Exact Mass211.05
IUPAC Name2,2-dichloro-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)(Cl)Cl
InChIInChI=1S/C8H15Cl2NO/c1-3-4-5-6-11-7(12)8(2,9)10/h3-6H2,1-2H3,(H,11,12)
InChIKeyFWSPMCLXOODZGP-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trichloro-N-dodecylacetamide
CID 4986291
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
CID 79796676
9-chloro-N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3616620
11-chloro-N-decyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide
CID 4106217
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-undecylnonanamide
CID 3948802
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-hexylnonanamide
CID 3090456
2,2,4,4-tetramethyl-N-octylhexanamide
CID 178052018

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-pentylpropanamide?
The IUPAC name of 2,2-dichloro-N-pentylpropanamide (CID 12827689) is 2,2-dichloro-N-pentylpropanamide.
What is the SMILES notation for 2,2-dichloro-N-pentylpropanamide?
The canonical SMILES for 2,2-dichloro-N-pentylpropanamide is CCCCCNC(=O)C(C)(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-pentylpropanamide?
The InChIKey is FWSPMCLXOODZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2NO/c1-3-4-5-6-11-7(12)8(2,9)10/h3-6H2,1-2H3,(H,11,12).
What are the key properties of 2,2-dichloro-N-pentylpropanamide?
2,2-dichloro-N-pentylpropanamide has a molecular weight of 212.12 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-pentylpropanamide is sourced from PubChem (CID 12827689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).