N,N-dibutyl-3-(4-fluorophenyl)propanamide

C17H26FNO — CID 46906422

IUPACN,N-dibutyl-3-(4-fluorophenyl)propanamide
SMILESCCCCN(CCCC)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-3-5-13-19(14-6-4-2)17(20)12-9-15-7-10-16(18)11-8-15/h7-8,10-11H,3-6,9,12-14H2,1-2H3
InChIKeyZIRWOWVALAJYKX-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.19
Rot. Bonds9

About N,N-dibutyl-3-(4-fluorophenyl)propanamide

N,N-dibutyl-3-(4-fluorophenyl)propanamide (PubChem CID 46906422) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N,N-dibutyl-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN,N-dibutyl-3-(4-fluorophenyl)propanamide
PubChem CID46906422
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN,N-dibutyl-3-(4-fluorophenyl)propanamide
SMILESCCCCN(CCCC)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-3-5-13-19(14-6-4-2)17(20)12-9-15-7-10-16(18)11-8-15/h7-8,10-11H,3-6,9,12-14H2,1-2H3
InChIKeyZIRWOWVALAJYKX-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluorophenyl)-N,N-dipropylbutanamide
CID 110297678
3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide
CID 60682225
3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325163
N,N-dihexyl-3-phenylpropanamide
CID 532921
N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858762
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide
CID 82071433
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
3-bromo-N,N-dibutyl-4-(4-fluorophenyl)-4-oxobutanamide
CID 25067893
N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 60702090
N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 94822045

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-(4-fluorophenyl)propanamide?
The IUPAC name of N,N-dibutyl-3-(4-fluorophenyl)propanamide (CID 46906422) is N,N-dibutyl-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N,N-dibutyl-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N,N-dibutyl-3-(4-fluorophenyl)propanamide is CCCCN(CCCC)C(=O)CCc1ccc(F)cc1.
What is the InChIKey of N,N-dibutyl-3-(4-fluorophenyl)propanamide?
The InChIKey is ZIRWOWVALAJYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-5-13-19(14-6-4-2)17(20)12-9-15-7-10-16(18)11-8-15/h7-8,10-11H,3-6,9,12-14H2,1-2H3.
What are the key properties of N,N-dibutyl-3-(4-fluorophenyl)propanamide?
N,N-dibutyl-3-(4-fluorophenyl)propanamide has a molecular weight of 279.40 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 46906422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).