N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide

C11H15FN2O — CID 24690236

IUPACN-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
SMILESNCCCNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C11H15FN2O/c12-10-4-1-3-9(7-10)8-11(15)14-6-2-5-13/h1,3-4,7H,2,5-6,8,13H2,(H,14,15)
InChIKeyZIEKORJHBIIEAO-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.83
Rot. Bonds5

About N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide

N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide (PubChem CID 24690236) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
PubChem CID24690236
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
SMILESNCCCNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C11H15FN2O/c12-10-4-1-3-9(7-10)8-11(15)14-6-2-5-13/h1,3-4,7H,2,5-6,8,13H2,(H,14,15)
InChIKeyZIEKORJHBIIEAO-UHFFFAOYSA-N
XLogP0.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.83
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-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119408534
2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide
CID 108924377
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493227
N-[2-(2-fluorophenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 4963716
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119408050
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627
N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide
CID 56787217

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide (CID 24690236) is N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide is NCCCNC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide?
The InChIKey is ZIEKORJHBIIEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-10-4-1-3-9(7-10)8-11(15)14-6-2-5-13/h1,3-4,7H,2,5-6,8,13H2,(H,14,15).
What are the key properties of N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide?
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide has a molecular weight of 210.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 24690236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).