N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide

C11H11Cl2F2NO3 — CID 103208648

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C11H11Cl2F2NO3/c12-7-3-6(4-8(13)11(7)18)16-10(17)1-2-19-5-9(14)15/h3-4,9,18H,1-2,5H2,(H,16,17)
InChIKeyWTXSMPKKEBPBPF-UHFFFAOYSA-N
MW314.12 g/mol
LogP3.31
Rot. Bonds6

About N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide

N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208648) has the molecular formula C11H11Cl2F2NO3 and a molecular weight of 314.12 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208648
Molecular FormulaC11H11Cl2F2NO3
Molecular Weight314.12 g/mol
Exact Mass313.01
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C11H11Cl2F2NO3/c12-7-3-6(4-8(13)11(7)18)16-10(17)1-2-19-5-9(14)15/h3-4,9,18H,1-2,5H2,(H,16,17)
InChIKeyWTXSMPKKEBPBPF-UHFFFAOYSA-N
XLogP3.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide (CID 103208648) is N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide is O=C(CCOCC(F)F)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is WTXSMPKKEBPBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F2NO3/c12-7-3-6(4-8(13)11(7)18)16-10(17)1-2-19-5-9(14)15/h3-4,9,18H,1-2,5H2,(H,16,17).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide?
N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 314.12 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).