methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate

C24H27FN2O3 — CID 165412024

IUPACmethyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C24H27FN2O3/c1-30-24(29)21(16-18-10-4-2-5-11-18)26-23(28)20-17-27(15-9-3-8-14-25)22-13-7-6-12-19(20)22/h2,4-7,10-13,17,21H,3,8-9,14-16H2,1H3,(H,26,28)
InChIKeyGZGBNOYVLYYYCZ-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.30
Rot. Bonds10

About methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate

methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate (PubChem CID 165412024) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate
PubChem CID165412024
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Namemethyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C24H27FN2O3/c1-30-24(29)21(16-18-10-4-2-5-11-18)26-23(28)20-17-27(15-9-3-8-14-25)22-13-7-6-12-19(20)22/h2,4-7,10-13,17,21H,3,8-9,14-16H2,1H3,(H,26,28)
InChIKeyGZGBNOYVLYYYCZ-UHFFFAOYSA-N
XLogP4.30
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate (CID 165412024) is methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1cn(CCCCCF)c2ccccc12.
What is the InChIKey of methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is GZGBNOYVLYYYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-30-24(29)21(16-18-10-4-2-5-11-18)26-23(28)20-17-27(15-9-3-8-14-25)22-13-7-6-12-19(20)22/h2,4-7,10-13,17,21H,3,8-9,14-16H2,1H3,(H,26,28).
What are the key properties of methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate?
methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 410.49 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 165412024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).