N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide

C17H27FN2O — CID 110620398

IUPACN-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide
SMILESCCN(CC)C(C)CNC(=O)CCCc1ccccc1F
InChIInChI=1S/C17H27FN2O/c1-4-20(5-2)14(3)13-19-17(21)12-8-10-15-9-6-7-11-16(15)18/h6-7,9,11,14H,4-5,8,10,12-13H2,1-3H3,(H,19,21)
InChIKeyHEQBAXSZZZBESK-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.99
Rot. Bonds9

About N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide

N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide (PubChem CID 110620398) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide
PubChem CID110620398
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide
SMILESCCN(CC)C(C)CNC(=O)CCCc1ccccc1F
InChIInChI=1S/C17H27FN2O/c1-4-20(5-2)14(3)13-19-17(21)12-8-10-15-9-6-7-11-16(15)18/h6-7,9,11,14H,4-5,8,10,12-13H2,1-3H3,(H,19,21)
InChIKeyHEQBAXSZZZBESK-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide
CID 110620401
N-[2-(diethylamino)propyl]-5-phenylpentanamide
CID 110301504
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726
N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110408284
N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
CID 110609858
3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide
CID 94107192
N-[2-(diethylamino)propyl]-4-methyl-4-phenylpentanamide
CID 110353171
N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
CID 100546563
N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55973374
3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propyl]propanamide
CID 110279623
1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea
CID 110607188
N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 46447028

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide?
The IUPAC name of N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide (CID 110620398) is N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide is CCN(CC)C(C)CNC(=O)CCCc1ccccc1F.
What is the InChIKey of N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide?
The InChIKey is HEQBAXSZZZBESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-20(5-2)14(3)13-19-17(21)12-8-10-15-9-6-7-11-16(15)18/h6-7,9,11,14H,4-5,8,10,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide?
N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide has a molecular weight of 294.41 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide is sourced from PubChem (CID 110620398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).