N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide

C16H23FN2O2 — CID 110609858

IUPACN-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
SMILESCC(=O)NCCCCNC(=O)CCCc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-13(20)18-11-4-5-12-19-16(21)10-6-8-14-7-2-3-9-15(14)17/h2-3,7,9H,4-6,8,10-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyQWQILKODKKEMIA-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.18
Rot. Bonds9

About N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide

N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide (PubChem CID 110609858) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
PubChem CID110609858
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
SMILESCC(=O)NCCCCNC(=O)CCCc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-13(20)18-11-4-5-12-19-16(21)10-6-8-14-7-2-3-9-15(14)17/h2-3,7,9H,4-6,8,10-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyQWQILKODKKEMIA-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.18
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-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110408284
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861
N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide
CID 38450332
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204
N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide
CID 110616052
N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110607212
N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110620398
N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119679682
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
CID 113120960

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide?
The IUPAC name of N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide (CID 110609858) is N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide.
What is the SMILES notation for N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide?
The canonical SMILES for N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide is CC(=O)NCCCCNC(=O)CCCc1ccccc1F.
What is the InChIKey of N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide?
The InChIKey is QWQILKODKKEMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-13(20)18-11-4-5-12-19-16(21)10-6-8-14-7-2-3-9-15(14)17/h2-3,7,9H,4-6,8,10-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide?
N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide has a molecular weight of 294.37 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide is sourced from PubChem (CID 110609858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).