3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide

C18H20FNO2 — CID 35504455

IUPAC3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)Nc2cc(F)ccc2C)c1
InChIInChI=1S/C18H20FNO2/c1-12-8-13(2)10-16(9-12)22-7-6-18(21)20-17-11-15(19)5-4-14(17)3/h4-5,8-11H,6-7H2,1-3H3,(H,20,21)
InChIKeyZDNVMFUFSVEYMJ-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.16
Rot. Bonds5

About 3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide

3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide (PubChem CID 35504455) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
PubChem CID35504455
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)Nc2cc(F)ccc2C)c1
InChIInChI=1S/C18H20FNO2/c1-12-8-13(2)10-16(9-12)22-7-6-18(21)20-17-11-15(19)5-4-14(17)3/h4-5,8-11H,6-7H2,1-3H3,(H,20,21)
InChIKeyZDNVMFUFSVEYMJ-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.16
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-tert-butylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
CID 18208025
N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503450
2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218262
N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31893094
2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969054
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide (CID 35504455) is 3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide is Cc1cc(C)cc(OCCC(=O)Nc2cc(F)ccc2C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide?
The InChIKey is ZDNVMFUFSVEYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-12-8-13(2)10-16(9-12)22-7-6-18(21)20-17-11-15(19)5-4-14(17)3/h4-5,8-11H,6-7H2,1-3H3,(H,20,21).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide?
3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide has a molecular weight of 301.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 35504455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).