N-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide

C20H21ClFN3O2 — CID 166873621

IUPACN-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESNCC(O)CCCNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl
InChIInChI=1S/C20H21ClFN3O2/c21-16-6-2-1-5-14(16)18-15-10-12(22)7-8-17(15)25-19(18)20(27)24-9-3-4-13(26)11-23/h1-2,5-8,10,13,25-26H,3-4,9,11,23H2,(H,24,27)
InChIKeyYTCWPDPDRFUFPO-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.46
Rot. Bonds7

About N-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide

N-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide (PubChem CID 166873621) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is N-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide
PubChem CID166873621
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC NameN-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESNCC(O)CCCNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl
InChIInChI=1S/C20H21ClFN3O2/c21-16-6-2-1-5-14(16)18-15-10-12(22)7-8-17(15)25-19(18)20(27)24-9-3-4-13(26)11-23/h1-2,5-8,10,13,25-26H,3-4,9,11,23H2,(H,24,27)
InChIKeyYTCWPDPDRFUFPO-UHFFFAOYSA-N
XLogP3.46
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.46
H-Bond Donors ≤ 54
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-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide (CID 166873621) is N-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide is NCC(O)CCCNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1Cl.
What is the InChIKey of N-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is YTCWPDPDRFUFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c21-16-6-2-1-5-14(16)18-15-10-12(22)7-8-17(15)25-19(18)20(27)24-9-3-4-13(26)11-23/h1-2,5-8,10,13,25-26H,3-4,9,11,23H2,(H,24,27).
What are the key properties of N-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide?
N-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 3.46, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-hydroxypentyl)-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 166873621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).