N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide

C11H15FN2O — CID 28767388

IUPACN-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-9(15)14(8-2-7-13)11-5-3-10(12)4-6-11/h3-6H,2,7-8,13H2,1H3
InChIKeyYYFOQWMENWKLIM-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.53
Rot. Bonds4

About N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide

N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide (PubChem CID 28767388) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
PubChem CID28767388
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-9(15)14(8-2-7-13)11-5-3-10(12)4-6-11/h3-6H,2,7-8,13H2,1H3
InChIKeyYYFOQWMENWKLIM-UHFFFAOYSA-N
XLogP1.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-(4-fluorophenyl)acetamide
CID 28769229
1-(3-aminopropyl)-1-(4-fluorophenyl)urea
CID 43136215
1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
CID 79154007
N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide
CID 103017246
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801026
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205332
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79750448
N-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059351
methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
CID 113059341
N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81440121
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide
CID 113059285

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide (CID 28767388) is N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide is CC(=O)N(CCCN)c1ccc(F)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide?
The InChIKey is YYFOQWMENWKLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-9(15)14(8-2-7-13)11-5-3-10(12)4-6-11/h3-6H,2,7-8,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide?
N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide has a molecular weight of 210.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 28767388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).