3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide

C14H20F2N2O — CID 2167939

IUPAC3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-3-4-8-18(2)9-7-14(19)17-11-5-6-12(15)13(16)10-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyJTRJXEXEOKPQBR-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.03
Rot. Bonds7

About 3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide

3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide (PubChem CID 2167939) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
PubChem CID2167939
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-3-4-8-18(2)9-7-14(19)17-11-5-6-12(15)13(16)10-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyJTRJXEXEOKPQBR-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid
CID 171154590
3-(butylamino)-N-(3,4-difluorophenyl)propanamide
CID 109012546
N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide
CID 109032458
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
CID 2902956
3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide
CID 108795391
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid
CID 171154464
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138231

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide (CID 2167939) is 3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide is CCCCN(C)CCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide?
The InChIKey is JTRJXEXEOKPQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-3-4-8-18(2)9-7-14(19)17-11-5-6-12(15)13(16)10-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19).
What are the key properties of 3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide?
3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide has a molecular weight of 270.32 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 2167939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).