2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide

C15H11ClF3NO2 — CID 3107152

IUPAC2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
SMILESO=C(NCCOc1ccccc1F)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H11ClF3NO2/c16-10-8-13(19)12(18)7-9(10)15(21)20-5-6-22-14-4-2-1-3-11(14)17/h1-4,7-8H,5-6H2,(H,20,21)
InChIKeyAQJJFLRBWHQNNX-UHFFFAOYSA-N
MW329.71 g/mol
LogP3.57
Rot. Bonds5

About 2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide

2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide (PubChem CID 3107152) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
PubChem CID3107152
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Name2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
SMILESO=C(NCCOc1ccccc1F)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H11ClF3NO2/c16-10-8-13(19)12(18)7-9(10)15(21)20-5-6-22-14-4-2-1-3-11(14)17/h1-4,7-8H,5-6H2,(H,20,21)
InChIKeyAQJJFLRBWHQNNX-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42571761
2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 52706556
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
2,4-dichloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174593
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide
CID 47027239
2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029639
N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
CID 18170636
N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500099
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102932
2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699924
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide (CID 3107152) is 2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide is O=C(NCCOc1ccccc1F)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide?
The InChIKey is AQJJFLRBWHQNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c16-10-8-13(19)12(18)7-9(10)15(21)20-5-6-22-14-4-2-1-3-11(14)17/h1-4,7-8H,5-6H2,(H,20,21).
What are the key properties of 2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide?
2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide has a molecular weight of 329.71 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide is sourced from PubChem (CID 3107152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).