N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide

C17H18FNO2 — CID 21173898

IUPACN-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO2/c1-11-8-12(2)10-15(9-11)19-17(20)13(3)21-16-6-4-14(18)5-7-16/h4-10,13H,1-3H3,(H,19,20)
InChIKeyAOOSRIPGVOHNTK-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.85
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide

N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 21173898) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID21173898
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO2/c1-11-8-12(2)10-15(9-11)19-17(20)13(3)21-16-6-4-14(18)5-7-16/h4-10,13H,1-3H3,(H,19,20)
InChIKeyAOOSRIPGVOHNTK-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
CID 4928504
(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 9173132
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
1-(3,5-dimethylphenyl)-3-[2-(4-fluorophenoxy)propanoylamino]thiourea
CID 78591356
(2S)-2-(4-fluorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 26074940
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
N-(3-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 18076804

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide (CID 21173898) is N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide is Cc1cc(C)cc(NC(=O)C(C)Oc2ccc(F)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is AOOSRIPGVOHNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-8-12(2)10-15(9-11)19-17(20)13(3)21-16-6-4-14(18)5-7-16/h4-10,13H,1-3H3,(H,19,20).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 287.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 21173898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).