5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide

C22H24FN3O2 — CID 42808866

IUPAC5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide
SMILESCC1(CNC(=O)c2cc3cc(N)ccc3n2Cc2ccc(F)cc2)CCCO1
InChIInChI=1S/C22H24FN3O2/c1-22(9-2-10-28-22)14-25-21(27)20-12-16-11-18(24)7-8-19(16)26(20)13-15-3-5-17(23)6-4-15/h3-8,11-12H,2,9-10,13-14,24H2,1H3,(H,25,27)
InChIKeyPGQMIQDAKMBKBV-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.71
Rot. Bonds5

About 5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide

5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide (PubChem CID 42808866) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide
PubChem CID42808866
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide
SMILESCC1(CNC(=O)c2cc3cc(N)ccc3n2Cc2ccc(F)cc2)CCCO1
InChIInChI=1S/C22H24FN3O2/c1-22(9-2-10-28-22)14-25-21(27)20-12-16-11-18(24)7-8-19(16)26(20)13-15-3-5-17(23)6-4-15/h3-8,11-12H,2,9-10,13-14,24H2,1H3,(H,25,27)
InChIKeyPGQMIQDAKMBKBV-UHFFFAOYSA-N
XLogP3.71
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide?
The IUPAC name of 5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide (CID 42808866) is 5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide.
What is the SMILES notation for 5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide?
The canonical SMILES for 5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide is CC1(CNC(=O)c2cc3cc(N)ccc3n2Cc2ccc(F)cc2)CCCO1.
What is the InChIKey of 5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide?
The InChIKey is PGQMIQDAKMBKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-22(9-2-10-28-22)14-25-21(27)20-12-16-11-18(24)7-8-19(16)26(20)13-15-3-5-17(23)6-4-15/h3-8,11-12H,2,9-10,13-14,24H2,1H3,(H,25,27).
What are the key properties of 5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide?
5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide is sourced from PubChem (CID 42808866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).