N-[2-(4-fluorophenyl)ethyl]butanamide

C12H16FNO — CID 773504

IUPACN-[2-(4-fluorophenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-2-3-12(15)14-9-8-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyNRYBMTRFUSRDAC-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]butanamide

N-[2-(4-fluorophenyl)ethyl]butanamide (PubChem CID 773504) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]butanamide
PubChem CID773504
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-2-3-12(15)14-9-8-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyNRYBMTRFUSRDAC-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide
CID 113055720
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110688951
3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109024995
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]butanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]butanamide (CID 773504) is N-[2-(4-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]butanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]butanamide is CCCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]butanamide?
The InChIKey is NRYBMTRFUSRDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-3-12(15)14-9-8-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]butanamide?
N-[2-(4-fluorophenyl)ethyl]butanamide has a molecular weight of 209.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 773504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).