2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane

C15H23F2NO2 — CID 155733613

IUPAC2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane
SMILESCCC(C(N)=O)c1ccc(F)cc1F.COCC(C)C
InChIInChI=1S/C10H11F2NO.C5H12O/c1-2-7(10(13)14)8-4-3-6(11)5-9(8)12;1-5(2)4-6-3/h3-5,7H,2H2,1H3,(H2,13,14);5H,4H2,1-3H3
InChIKeyQEQYVUZXRCSFTJ-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.23
Rot. Bonds5

About 2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane

2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane (PubChem CID 155733613) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane
PubChem CID155733613
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane
SMILESCCC(C(N)=O)c1ccc(F)cc1F.COCC(C)C
InChIInChI=1S/C10H11F2NO.C5H12O/c1-2-7(10(13)14)8-4-3-6(11)5-9(8)12;1-5(2)4-6-3/h3-5,7H,2H2,1H3,(H2,13,14);5H,4H2,1-3H3
InChIKeyQEQYVUZXRCSFTJ-UHFFFAOYSA-N
XLogP3.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 8688014
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049
ethyl 2-chloro-2-(2,4-difluorophenyl)acetate
CID 62224736
1-(2,4-difluorophenyl)-1-methoxybutan-2-one
CID 83225368
N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191889
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol
CID 114094254
1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105143692
(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid
CID 171716727
[1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate
CID 123475451
methyl 2-(2-amino-3,5-difluorophenyl)butanoate
CID 106987849
methyl 4-amino-3-(2,4-difluorophenyl)pentanoate
CID 66096858

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane?
The IUPAC name of 2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane (CID 155733613) is 2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane.
What is the SMILES notation for 2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane?
The canonical SMILES for 2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane is CCC(C(N)=O)c1ccc(F)cc1F.COCC(C)C.
What is the InChIKey of 2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane?
The InChIKey is QEQYVUZXRCSFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO.C5H12O/c1-2-7(10(13)14)8-4-3-6(11)5-9(8)12;1-5(2)4-6-3/h3-5,7H,2H2,1H3,(H2,13,14);5H,4H2,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane?
2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane has a molecular weight of 287.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)butanamide;1-methoxy-2-methylpropane is sourced from PubChem (CID 155733613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).