N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide

C20H21FN2O — CID 4827455

IUPACN-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O/c1-14(15-9-11-17(21)12-10-15)23-20(24)8-4-5-16-13-22-19-7-3-2-6-18(16)19/h2-3,6-7,9-14,22H,4-5,8H2,1H3,(H,23,24)
InChIKeyHOMOAPBJPGLDSX-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.51
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide

N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 4827455) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID4827455
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O/c1-14(15-9-11-17(21)12-10-15)23-20(24)8-4-5-16-13-22-19-7-3-2-6-18(16)19/h2-3,6-7,9-14,22H,4-5,8H2,1H3,(H,23,24)
InChIKeyHOMOAPBJPGLDSX-UHFFFAOYSA-N
XLogP4.51
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide (CID 4827455) is N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide is CC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is HOMOAPBJPGLDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-14(15-9-11-17(21)12-10-15)23-20(24)8-4-5-16-13-22-19-7-3-2-6-18(16)19/h2-3,6-7,9-14,22H,4-5,8H2,1H3,(H,23,24).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide?
N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 324.40 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 4827455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).