3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide

C18H19F2NO — CID 60564582

IUPAC3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C18H19F2NO/c1-3-13-6-4-5-12(2)18(13)21-17(22)10-7-14-11-15(19)8-9-16(14)20/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,21,22)
InChIKeyIXPAXFLMFIWRQC-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.41
Rot. Bonds5

About 3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide

3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 60564582) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID60564582
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C18H19F2NO/c1-3-13-6-4-5-12(2)18(13)21-17(22)10-7-14-11-15(19)8-9-16(14)20/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,21,22)
InChIKeyIXPAXFLMFIWRQC-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108954227
1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108991584
2-(2,4-difluorophenyl)-N-(2,6-dimethylphenyl)acetamide
CID 110488922
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N-(2-ethyl-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 115573702
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
3-(3,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 26687947
N-(2,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004326
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
N-(2-ethyl-6-methylphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112997050
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276
N'-(2-ethyl-6-methylphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108954255

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide (CID 60564582) is 3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)CCc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is IXPAXFLMFIWRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c1-3-13-6-4-5-12(2)18(13)21-17(22)10-7-14-11-15(19)8-9-16(14)20/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,21,22).
What are the key properties of 3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide?
3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 303.35 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 60564582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).