N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide

C15H13ClFNO2 — CID 92748915

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
SMILESO=C(NCCOc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C15H13ClFNO2/c16-12-4-6-14(7-5-12)20-9-8-18-15(19)11-2-1-3-13(17)10-11/h1-7,10H,8-9H2,(H,18,19)
InChIKeyUAYAAZLBMOWBNG-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.29
Rot. Bonds5

About N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide

N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide (PubChem CID 92748915) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
PubChem CID92748915
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
SMILESO=C(NCCOc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C15H13ClFNO2/c16-12-4-6-14(7-5-12)20-9-8-18-15(19)11-2-1-3-13(17)10-11/h1-7,10H,8-9H2,(H,18,19)
InChIKeyUAYAAZLBMOWBNG-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide
CID 9297573
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697
3-bromo-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 113102457
2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30865871
N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55527750
N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide
CID 16567606
3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541666

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide (CID 92748915) is N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide is O=C(NCCOc1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide?
The InChIKey is UAYAAZLBMOWBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-12-4-6-14(7-5-12)20-9-8-18-15(19)11-2-1-3-13(17)10-11/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide?
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide has a molecular weight of 293.73 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 92748915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).