N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide

C15H13ClFNO2 — CID 2739501

IUPACN-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccc(F)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFNO2/c16-11-1-5-13(6-2-11)18-15(19)9-10-20-14-7-3-12(17)4-8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyXJBTYZSXNJFTBZ-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.89
Rot. Bonds5

About N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide

N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide (PubChem CID 2739501) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide
PubChem CID2739501
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC NameN-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccc(F)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFNO2/c16-11-1-5-13(6-2-11)18-15(19)9-10-20-14-7-3-12(17)4-8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyXJBTYZSXNJFTBZ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide (CID 2739501) is N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide is O=C(CCOc1ccc(F)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide?
The InChIKey is XJBTYZSXNJFTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-11-1-5-13(6-2-11)18-15(19)9-10-20-14-7-3-12(17)4-8-14/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide?
N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide has a molecular weight of 293.73 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 2739501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).