N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide

C14H20F2N2O — CID 107206768

IUPACN-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCN(CCCCCN)C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-18(8-4-2-3-7-17)14(19)10-11-5-6-12(15)13(16)9-11/h5-6,9H,2-4,7-8,10,17H2,1H3
InChIKeyNYBHOZPQQRTFMP-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.09
Rot. Bonds7

About N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide

N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide (PubChem CID 107206768) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide
PubChem CID107206768
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCN(CCCCCN)C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-18(8-4-2-3-7-17)14(19)10-11-5-6-12(15)13(16)9-11/h5-6,9H,2-4,7-8,10,17H2,1H3
InChIKeyNYBHOZPQQRTFMP-UHFFFAOYSA-N
XLogP2.09
TPSA46.33 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-methyl-2-pyridin-4-ylacetamide
CID 115318955
N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 107206649
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 62498032
N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197450
N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202302
2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 119454657
N-(1-chloropropan-2-yl)-2-(3,4-difluorophenyl)-N-methylacetamide
CID 104555783
N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide
CID 115176980
N-(3-bromopropyl)-2-(3,4-difluorophenyl)-N-propan-2-ylacetamide
CID 80662378
N-butyl-2-(3,4-dihydroxyphenyl)-N-methylacetamide
CID 113199070
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60729593

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide?
The IUPAC name of N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide (CID 107206768) is N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide is CN(CCCCCN)C(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide?
The InChIKey is NYBHOZPQQRTFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-18(8-4-2-3-7-17)14(19)10-11-5-6-12(15)13(16)9-11/h5-6,9H,2-4,7-8,10,17H2,1H3.
What are the key properties of N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide?
N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide has a molecular weight of 270.32 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 107206768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).