N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide

C16H15F2NO2 — CID 31893094

IUPACN-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C16H15F2NO2/c1-11-2-7-15(14(18)10-11)19-16(20)8-9-21-13-5-3-12(17)4-6-13/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyBCEWPHPOXUFORJ-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.68
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide

N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide (PubChem CID 31893094) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide
PubChem CID31893094
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C16H15F2NO2/c1-11-2-7-15(14(18)10-11)19-16(20)8-9-21-13-5-3-12(17)4-6-13/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyBCEWPHPOXUFORJ-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-(4-fluorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 47351806
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
CID 7914785
4-(2-fluoro-4-methylanilino)-4-oxobutanoic acid
CID 43396222
4-(4-bromophenoxy)-N-(2,4-difluorophenyl)butanamide
CID 3411864
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807316
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139581

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide (CID 31893094) is N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide is Cc1ccc(NC(=O)CCOc2ccc(F)cc2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide?
The InChIKey is BCEWPHPOXUFORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-11-2-7-15(14(18)10-11)19-16(20)8-9-21-13-5-3-12(17)4-6-13/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide?
N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide has a molecular weight of 291.30 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 31893094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).