N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide

C11H14F2N2O2 — CID 110488128

IUPACN-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide
SMILESNCCCNC(=O)COc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2O2/c12-8-4-9(13)6-10(5-8)17-7-11(16)15-3-1-2-14/h4-6H,1-3,7,14H2,(H,15,16)
InChIKeyINMNIFDGGRGXGM-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.81
Rot. Bonds6

About N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide

N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide (PubChem CID 110488128) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide
PubChem CID110488128
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC NameN-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide
SMILESNCCCNC(=O)COc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2O2/c12-8-4-9(13)6-10(5-8)17-7-11(16)15-3-1-2-14/h4-6H,1-3,7,14H2,(H,15,16)
InChIKeyINMNIFDGGRGXGM-UHFFFAOYSA-N
XLogP0.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide
CID 110834191
N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119405880
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119408050
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide
CID 155340732
methyl 3-[2-(5-aminopentylamino)-2-oxoethoxy]-5-hydroxybenzoate
CID 59004835
5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 62032120
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392
N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane
CID 143107944
2-(3,5-difluorophenoxy)acetyl chloride
CID 168917412

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide (CID 110488128) is N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide is NCCCNC(=O)COc1cc(F)cc(F)c1.
What is the InChIKey of N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide?
The InChIKey is INMNIFDGGRGXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-8-4-9(13)6-10(5-8)17-7-11(16)15-3-1-2-14/h4-6H,1-3,7,14H2,(H,15,16).
What are the key properties of N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide?
N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide has a molecular weight of 244.24 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide is sourced from PubChem (CID 110488128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).