N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide

C15H23FN2O — CID 110408284

IUPACN-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
SMILESCN(C)CCCNC(=O)CCCc1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-18(2)12-6-11-17-15(19)10-5-8-13-7-3-4-9-14(13)16/h3-4,7,9H,5-6,8,10-12H2,1-2H3,(H,17,19)
InChIKeyUKXRYYADFISUIC-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.22
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide

N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide (PubChem CID 110408284) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
PubChem CID110408284
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
SMILESCN(C)CCCNC(=O)CCCc1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-18(2)12-6-11-17-15(19)10-5-8-13-7-3-4-9-14(13)16/h3-4,7,9H,5-6,8,10-12H2,1-2H3,(H,17,19)
InChIKeyUKXRYYADFISUIC-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109017050
N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
CID 110609858
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813
2-N-[3-(dimethylamino)propyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133984
3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017023
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298783
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
1-[3-(dimethylamino)propyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111361404
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one
CID 110611599
N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110620398
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide (CID 110408284) is N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide is CN(C)CCCNC(=O)CCCc1ccccc1F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide?
The InChIKey is UKXRYYADFISUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-18(2)12-6-11-17-15(19)10-5-8-13-7-3-4-9-14(13)16/h3-4,7,9H,5-6,8,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide?
N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide has a molecular weight of 266.36 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide is sourced from PubChem (CID 110408284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).