N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide

C14H20F2N2O — CID 109032108

IUPACN-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide
SMILESCC(C)CCNCCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C14H20F2N2O/c1-10(2)6-8-17-9-7-13(19)18-14-11(15)4-3-5-12(14)16/h3-5,10,17H,6-9H2,1-2H3,(H,18,19)
InChIKeyMIVZYZFFVCKFCC-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.93
Rot. Bonds7

About N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide

N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide (PubChem CID 109032108) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide
PubChem CID109032108
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide
SMILESCC(C)CCNCCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C14H20F2N2O/c1-10(2)6-8-17-9-7-13(19)18-14-11(15)4-3-5-12(14)16/h3-5,10,17H,6-9H2,1-2H3,(H,18,19)
InChIKeyMIVZYZFFVCKFCC-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025996
3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109032020
3-(2,6-diethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109037146
N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
CID 109032040
3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056257
N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025741
N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136996
N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032012
N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027882
3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042717
3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]propanamide
CID 43626499
3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide (CID 109032108) is N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide is CC(C)CCNCCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide?
The InChIKey is MIVZYZFFVCKFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-10(2)6-8-17-9-7-13(19)18-14-11(15)4-3-5-12(14)16/h3-5,10,17H,6-9H2,1-2H3,(H,18,19).
What are the key properties of N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide?
N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide has a molecular weight of 270.32 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide is sourced from PubChem (CID 109032108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).