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

C18H20FNO — CID 2288121

IUPACN-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c19-17-11-9-16(10-12-17)13-14-20-18(21)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14H2,(H,20,21)
InChIKeyYMGSNZBZUKXWLX-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.51
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide (PubChem CID 2288121) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
PubChem CID2288121
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c19-17-11-9-16(10-12-17)13-14-20-18(21)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14H2,(H,20,21)
InChIKeyYMGSNZBZUKXWLX-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
4-[4-oxo-4-(2-phenylethylamino)butyl]benzenesulfonic acid
CID 23037515
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide (CID 2288121) is N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide?
The InChIKey is YMGSNZBZUKXWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c19-17-11-9-16(10-12-17)13-14-20-18(21)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14H2,(H,20,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide?
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide has a molecular weight of 285.36 g/mol, XLogP of 3.51, 7 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]-4-phenylbutanamide is sourced from PubChem (CID 2288121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).