3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide

C12H16F2N2O2 — CID 63269588

IUPAC3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(COc1cc(F)ccc1F)C(N)=O
InChIInChI=1S/C12H16F2N2O2/c1-7(2)16-10(12(15)17)6-18-11-5-8(13)3-4-9(11)14/h3-5,7,10,16H,6H2,1-2H3,(H2,15,17)
InChIKeyCPUNUMAELQVRCG-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.20
Rot. Bonds6

About 3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide

3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide (PubChem CID 63269588) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide
PubChem CID63269588
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(COc1cc(F)ccc1F)C(N)=O
InChIInChI=1S/C12H16F2N2O2/c1-7(2)16-10(12(15)17)6-18-11-5-8(13)3-4-9(11)14/h3-5,7,10,16H,6H2,1-2H3,(H2,15,17)
InChIKeyCPUNUMAELQVRCG-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butanoic acid
CID 63273100
4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide
CID 63269722
methyl 2-amino-4-(2,5-difluorophenoxy)butanoate
CID 63273139
2-(2,5-difluorophenoxy)propanamide
CID 63269491
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid
CID 55167943
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64809311
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425
3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid
CID 63272996
methyl 4-(2,5-difluorophenoxy)-2-(methylamino)butanoate
CID 63269811
1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333
3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-2-methylpropanamide
CID 113389494
3-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 63272894

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide (CID 63269588) is 3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide is CC(C)NC(COc1cc(F)ccc1F)C(N)=O.
What is the InChIKey of 3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide?
The InChIKey is CPUNUMAELQVRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-7(2)16-10(12(15)17)6-18-11-5-8(13)3-4-9(11)14/h3-5,7,10,16H,6H2,1-2H3,(H2,15,17).
What are the key properties of 3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide?
3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide has a molecular weight of 258.27 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63269588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).