N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide

C10H18ClF2NO2 — CID 107320973

IUPACN-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)NCCCCCCl
InChIInChI=1S/C10H18ClF2NO2/c11-5-2-1-3-6-14-10(15)4-7-16-8-9(12)13/h9H,1-8H2,(H,14,15)
InChIKeySCMYVMFVAUJWHV-UHFFFAOYSA-N
MW257.71 g/mol
LogP2.18
Rot. Bonds10

About N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide

N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 107320973) has the molecular formula C10H18ClF2NO2 and a molecular weight of 257.71 g/mol. Its IUPAC name is N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID107320973
Molecular FormulaC10H18ClF2NO2
Molecular Weight257.71 g/mol
Exact Mass257.10
IUPAC NameN-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)NCCCCCCl
InChIInChI=1S/C10H18ClF2NO2/c11-5-2-1-3-6-14-10(15)4-7-16-8-9(12)13/h9H,1-8H2,(H,14,15)
InChIKeySCMYVMFVAUJWHV-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.71
LogP ≤ 52.18
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'}

Analyze N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
CID 103205763
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103205484
N-(4-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106129994
N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106131283
ethyl 4-[3-(2,2-difluoroethoxy)propanoylamino]butanoate
CID 103209827
N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
CID 103211869
3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide
CID 103211673
N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208987
N-(4-chloro-2-ethylbutyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212435
3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
CID 103211866
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
N-[[3-(chloromethyl)phenyl]methyl]-3-(2,2-difluoroethoxy)propanamide
CID 103212385

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide (CID 107320973) is N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide is O=C(CCOCC(F)F)NCCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is SCMYVMFVAUJWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClF2NO2/c11-5-2-1-3-6-14-10(15)4-7-16-8-9(12)13/h9H,1-8H2,(H,14,15).
What are the key properties of N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide?
N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 257.71 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 107320973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).