N-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide

C20H21FN2O3 — CID 175334673

IUPACN-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide
SMILESO=C(NCC(O)CCCO)c1cc2cc(-c3ccc(F)cc3)ccc2[nH]1
InChIInChI=1S/C20H21FN2O3/c21-16-6-3-13(4-7-16)14-5-8-18-15(10-14)11-19(23-18)20(26)22-12-17(25)2-1-9-24/h3-8,10-11,17,23-25H,1-2,9,12H2,(H,22,26)
InChIKeyLFBRJEULAQJAAW-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.84
Rot. Bonds7

About N-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide

N-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide (PubChem CID 175334673) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide
PubChem CID175334673
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide
SMILESO=C(NCC(O)CCCO)c1cc2cc(-c3ccc(F)cc3)ccc2[nH]1
InChIInChI=1S/C20H21FN2O3/c21-16-6-3-13(4-7-16)14-5-8-18-15(10-14)11-19(23-18)20(26)22-12-17(25)2-1-9-24/h3-8,10-11,17,23-25H,1-2,9,12H2,(H,22,26)
InChIKeyLFBRJEULAQJAAW-UHFFFAOYSA-N
XLogP2.84
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(4R)-5-[[5-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-4-methylpentyl]carbamate
CID 159505362
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 135324109
[(3S)-3-chloro-4-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]butyl]azanium
CID 156664162
N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 135324352
2-[[(5-fluoro-1H-indole-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253265
[(2S)-5-azaniumyl-5-cyclopropyl-1-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]pentan-2-yl]azanium dichloride
CID 135324301
5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 111115526
5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide
CID 109380589
N-(2-hydroxy-3-phenylpropyl)-1H-indole-2-carboxamide
CID 71921555
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide
CID 111662774
6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide
CID 135324569

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide (CID 175334673) is N-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide is O=C(NCC(O)CCCO)c1cc2cc(-c3ccc(F)cc3)ccc2[nH]1.
What is the InChIKey of N-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide?
The InChIKey is LFBRJEULAQJAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-16-6-3-13(4-7-16)14-5-8-18-15(10-14)11-19(23-18)20(26)22-12-17(25)2-1-9-24/h3-8,10-11,17,23-25H,1-2,9,12H2,(H,22,26).
What are the key properties of N-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide?
N-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxypentyl)-5-(4-fluorophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 175334673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).