N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide

C11H20ClF2NO2 — CID 103212435

IUPACN-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCCC(CCCl)CNC(=O)CCOCC(F)F
InChIInChI=1S/C11H20ClF2NO2/c1-2-9(3-5-12)7-15-11(16)4-6-17-8-10(13)14/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyFBNZBGLEPCQVPO-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.43
Rot. Bonds10

About N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide

N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103212435) has the molecular formula C11H20ClF2NO2 and a molecular weight of 271.73 g/mol. Its IUPAC name is N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103212435
Molecular FormulaC11H20ClF2NO2
Molecular Weight271.73 g/mol
Exact Mass271.12
IUPAC NameN-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCCC(CCCl)CNC(=O)CCOCC(F)F
InChIInChI=1S/C11H20ClF2NO2/c1-2-9(3-5-12)7-15-11(16)4-6-17-8-10(13)14/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyFBNZBGLEPCQVPO-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide
CID 106116164
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105
N-(2-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212738
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 107320973
methyl 2-bromo-3-[3-(2,2-difluoroethoxy)propanoylamino]propanoate
CID 103492443
N-(4-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106129994
3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
CID 103211866
N-(4-chloro-2-ethylbutyl)-3-(3-methylphenoxy)propanamide
CID 114306528
2-[[3-(2,2-difluoroethoxy)propanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473822
N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208987
N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
CID 103211869

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide (CID 103212435) is N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide is CCC(CCCl)CNC(=O)CCOCC(F)F.
What is the InChIKey of N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is FBNZBGLEPCQVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClF2NO2/c1-2-9(3-5-12)7-15-11(16)4-6-17-8-10(13)14/h9-10H,2-8H2,1H3,(H,15,16).
What are the key properties of N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide?
N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 271.73 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103212435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).