2-(2,5-difluorophenyl)propanamide

C9H9F2NO — CID 141213802

IUPAC2-(2,5-difluorophenyl)propanamide
SMILESCC(C(N)=O)c1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO/c1-5(9(12)13)7-4-6(10)2-3-8(7)11/h2-5H,1H3,(H2,12,13)
InChIKeyJNBPHKUUQDTDKH-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.55
Rot. Bonds2

About 2-(2,5-difluorophenyl)propanamide

2-(2,5-difluorophenyl)propanamide (PubChem CID 141213802) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)propanamide
PubChem CID141213802
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name2-(2,5-difluorophenyl)propanamide
SMILESCC(C(N)=O)c1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO/c1-5(9(12)13)7-4-6(10)2-3-8(7)11/h2-5H,1H3,(H2,12,13)
InChIKeyJNBPHKUUQDTDKH-UHFFFAOYSA-N
XLogP1.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
2-(2-chloro-4-fluorophenyl)propanamide
CID 155026296
2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide
CID 54891273
2-amino-3-(2,5-difluorophenyl)butanoic acid
CID 83909955
2-[1-(2,5-difluorophenyl)ethylamino]acetamide
CID 16773661
2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide
CID 21406754
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
CID 51888842
1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 116859934
3-bromo-4-(2,5-difluorophenyl)pentan-2-one
CID 64720936

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)propanamide?
The IUPAC name of 2-(2,5-difluorophenyl)propanamide (CID 141213802) is 2-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)propanamide?
The canonical SMILES for 2-(2,5-difluorophenyl)propanamide is CC(C(N)=O)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)propanamide?
The InChIKey is JNBPHKUUQDTDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-5(9(12)13)7-4-6(10)2-3-8(7)11/h2-5H,1H3,(H2,12,13).
What are the key properties of 2-(2,5-difluorophenyl)propanamide?
2-(2,5-difluorophenyl)propanamide has a molecular weight of 185.17 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 141213802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).