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

C13H17FN2O2 — CID 38450332

IUPACN-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide
SMILESCC(=O)NCCCNC(=O)Cc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-10(17)15-7-4-8-16-13(18)9-11-5-2-3-6-12(11)14/h2-3,5-6H,4,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyQGHSEKIBUFKQJR-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.01
Rot. Bonds6

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

N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide (PubChem CID 38450332) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide
PubChem CID38450332
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide
SMILESCC(=O)NCCCNC(=O)Cc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-10(17)15-7-4-8-16-13(18)9-11-5-2-3-6-12(11)14/h2-3,5-6H,4,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyQGHSEKIBUFKQJR-UHFFFAOYSA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.01
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-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
CID 110609858
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
tert-butyl N-[2-[3-[[2-(2-fluorophenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918808
N-[2-(ethylamino)ethyl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 119260410
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204
2-(2-fluorophenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100637712
N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
CID 110472861
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
2-[[2-(2-fluorophenyl)acetyl]amino]acetic acid
CID 16785853
2-[2-(2-acetamidoethylamino)-2-oxoethyl]benzoic acid
CID 112568591

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide (CID 38450332) is N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide is CC(=O)NCCCNC(=O)Cc1ccccc1F.
What is the InChIKey of N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide?
The InChIKey is QGHSEKIBUFKQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-10(17)15-7-4-8-16-13(18)9-11-5-2-3-6-12(11)14/h2-3,5-6H,4,7-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide?
N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide has a molecular weight of 252.29 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 38450332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).