N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide

C18H20FNO — CID 2914347

IUPACN-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H20FNO/c1-14(16-5-3-2-4-6-16)13-18(21)20-12-11-15-7-9-17(19)10-8-15/h2-10,14H,11-13H2,1H3,(H,20,21)
InChIKeyNWYAKFKDBRUKBH-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide

N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide (PubChem CID 2914347) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
PubChem CID2914347
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H20FNO/c1-14(16-5-3-2-4-6-16)13-18(21)20-12-11-15-7-9-17(19)10-8-15/h2-10,14H,11-13H2,1H3,(H,20,21)
InChIKeyNWYAKFKDBRUKBH-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
CID 119548314
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 9210450
2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113161982
2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255461
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7227476
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772104
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid
CID 99849251
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide (CID 2914347) is N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide is CC(CC(=O)NCCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide?
The InChIKey is NWYAKFKDBRUKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-14(16-5-3-2-4-6-16)13-18(21)20-12-11-15-7-9-17(19)10-8-15/h2-10,14H,11-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide?
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide has a molecular weight of 285.36 g/mol, XLogP of 3.68, 6 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]-3-phenylbutanamide is sourced from PubChem (CID 2914347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).