N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide

C19H26FN3O2 — CID 118796498

IUPACN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cn(CCCCCF)c2ccccc12)C(N)=O
InChIInChI=1S/C19H26FN3O2/c1-13(2)17(18(21)24)22-19(25)15-12-23(11-7-3-6-10-20)16-9-5-4-8-14(15)16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3,(H2,21,24)(H,22,25)/t17-/m0/s1
InChIKeyGQYZBLMAONPUNX-KRWDZBQOSA-N
MW347.43 g/mol
LogP3.02
Rot. Bonds9

About N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide (PubChem CID 118796498) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide
PubChem CID118796498
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cn(CCCCCF)c2ccccc12)C(N)=O
InChIInChI=1S/C19H26FN3O2/c1-13(2)17(18(21)24)22-19(25)15-12-23(11-7-3-6-10-20)16-9-5-4-8-14(15)16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3,(H2,21,24)(H,22,25)/t17-/m0/s1
InChIKeyGQYZBLMAONPUNX-KRWDZBQOSA-N
XLogP3.02
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide (CID 118796498) is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide is CC(C)[C@H](NC(=O)c1cn(CCCCCF)c2ccccc12)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide?
The InChIKey is GQYZBLMAONPUNX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-13(2)17(18(21)24)22-19(25)15-12-23(11-7-3-6-10-20)16-9-5-4-8-14(15)16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3,(H2,21,24)(H,22,25)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide?
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide is sourced from PubChem (CID 118796498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).