N-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide

C22H26FN3O2 — CID 175625624

IUPACN-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCCCOC[C@H](N)CNC(=O)c1[nH]c2cccc(-c3ccc(F)cc3)c2c1C
InChIInChI=1S/C22H26FN3O2/c1-3-11-28-13-17(24)12-25-22(27)21-14(2)20-18(5-4-6-19(20)26-21)15-7-9-16(23)10-8-15/h4-10,17,26H,3,11-13,24H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyFSTRRAMCPFKCEW-QGZVFWFLSA-N
MW383.47 g/mol
LogP3.77
Rot. Bonds8

About N-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide

N-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide (PubChem CID 175625624) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide
PubChem CID175625624
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCCCOC[C@H](N)CNC(=O)c1[nH]c2cccc(-c3ccc(F)cc3)c2c1C
InChIInChI=1S/C22H26FN3O2/c1-3-11-28-13-17(24)12-25-22(27)21-14(2)20-18(5-4-6-19(20)26-21)15-7-9-16(23)10-8-15/h4-10,17,26H,3,11-13,24H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyFSTRRAMCPFKCEW-QGZVFWFLSA-N
XLogP3.77
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.77
H-Bond Donors ≤ 53
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-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide (CID 175625624) is N-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide is CCCOC[C@H](N)CNC(=O)c1[nH]c2cccc(-c3ccc(F)cc3)c2c1C.
What is the InChIKey of N-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide?
The InChIKey is FSTRRAMCPFKCEW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-3-11-28-13-17(24)12-25-22(27)21-14(2)20-18(5-4-6-19(20)26-21)15-7-9-16(23)10-8-15/h4-10,17,26H,3,11-13,24H2,1-2H3,(H,25,27)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide?
N-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 175625624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).