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

C16H23FN2O2 — CID 110355184

IUPACN-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
SMILESCC(=O)NCCCCNC(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-13(20)18-11-2-3-12-19-16(21)6-4-5-14-7-9-15(17)10-8-14/h7-10H,2-6,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyFRKVMWGXOJDJKD-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.18
Rot. Bonds9

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

N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide (PubChem CID 110355184) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
PubChem CID110355184
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
SMILESCC(=O)NCCCCNC(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-13(20)18-11-2-3-12-19-16(21)6-4-5-14-7-9-15(17)10-8-14/h7-10H,2-6,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyFRKVMWGXOJDJKD-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-(4-fluorophenyl)propyl]acetamide
CID 58997658
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110309532
N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
CID 110609858
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
4-(4-aminophenyl)-N-(5-oxohexyl)butanamide
CID 23579156
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide?
The IUPAC name of N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide (CID 110355184) is N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide?
The canonical SMILES for N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide is CC(=O)NCCCCNC(=O)CCCc1ccc(F)cc1.
What is the InChIKey of N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide?
The InChIKey is FRKVMWGXOJDJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-13(20)18-11-2-3-12-19-16(21)6-4-5-14-7-9-15(17)10-8-14/h7-10H,2-6,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide?
N-(4-acetamidobutyl)-4-(4-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-(4-fluorophenyl)butanamide is sourced from PubChem (CID 110355184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).