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

C16H16FNO2 — CID 31855578

IUPAC3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-12-2-6-14(7-3-12)18-16(19)10-11-20-15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZJWFYVPAOOJYIK-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.54
Rot. Bonds5

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

3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide (PubChem CID 31855578) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
PubChem CID31855578
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-12-2-6-14(7-3-12)18-16(19)10-11-20-15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZJWFYVPAOOJYIK-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
3-(4-fluorophenoxy)-N-(4-propylphenyl)propanamide
CID 112816800
2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid
CID 45346370
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31893094
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802763
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide
CID 32945767
3-(4-fluorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 47351806
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide (CID 31855578) is 3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCOc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide?
The InChIKey is ZJWFYVPAOOJYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-12-2-6-14(7-3-12)18-16(19)10-11-20-15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide?
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide has a molecular weight of 273.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 31855578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).