N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide

C9H16ClF2NO3 — CID 103212347

IUPACN-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCOCC(Cl)CNC(=O)CCOCC(F)F
InChIInChI=1S/C9H16ClF2NO3/c1-15-5-7(10)4-13-9(14)2-3-16-6-8(11)12/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeySOUBDNYBKXUKQN-UHFFFAOYSA-N
MW259.68 g/mol
LogP1.03
Rot. Bonds9

About N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide

N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103212347) has the molecular formula C9H16ClF2NO3 and a molecular weight of 259.68 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103212347
Molecular FormulaC9H16ClF2NO3
Molecular Weight259.68 g/mol
Exact Mass259.08
IUPAC NameN-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCOCC(Cl)CNC(=O)CCOCC(F)F
InChIInChI=1S/C9H16ClF2NO3/c1-15-5-7(10)4-13-9(14)2-3-16-6-8(11)12/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeySOUBDNYBKXUKQN-UHFFFAOYSA-N
XLogP1.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl 2-bromo-3-[3-(2,2-difluoroethoxy)propanoylamino]propanoate
CID 103492443
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105
N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212435
N-(2-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212738
N-(4-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106129994
3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
CID 103211866
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
N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide
CID 106116164
N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 107320973
3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide
CID 103211673

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide (CID 103212347) is N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide is COCC(Cl)CNC(=O)CCOCC(F)F.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is SOUBDNYBKXUKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClF2NO3/c1-15-5-7(10)4-13-9(14)2-3-16-6-8(11)12/h7-8H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide?
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 259.68 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103212347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).