4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide

C21H22ClFN2O2 — CID 90718339

IUPAC4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCC(C)n1ccc2cc(Cl)ccc21
InChIInChI=1S/C21H22ClFN2O2/c1-14(25-10-9-15-11-17(22)4-6-19(15)25)3-8-21(26)24-13-16-12-18(23)5-7-20(16)27-2/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,24,26)
InChIKeyAZIAPXXCACEYPI-UHFFFAOYSA-N
MW388.87 g/mol
LogP5.10
Rot. Bonds7

About 4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide

4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide (PubChem CID 90718339) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide
PubChem CID90718339
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC Name4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCC(C)n1ccc2cc(Cl)ccc21
InChIInChI=1S/C21H22ClFN2O2/c1-14(25-10-9-15-11-17(22)4-6-19(15)25)3-8-21(26)24-13-16-12-18(23)5-7-20(16)27-2/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,24,26)
InChIKeyAZIAPXXCACEYPI-UHFFFAOYSA-N
XLogP5.10
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.87
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-methyl-amino)-ethyl]-imidazolidin-2-one
CID 9802796
2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 858406
Ucm-454
CID 10428383
2-(2-chloro-6-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 2989330
N-(2-ethoxybenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 4429356
N-(2-(1H-Indol-3-yl)ethyl)-2-(2-methoxyphenyl)acetamide
CID 4796568
3-(1-ethyl-1H-indol-3-yl)-N-(2-methoxybenzyl)propanamide
CID 16019095
N-(3-indol-1-ylpropyl)-3-(2-methoxyphenyl)propanamide
CID 16290655
1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-ethyl-amino)-ethyl]-imidazolidin-2-one
CID 10503470
{2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-dimethyl-amine
CID 10592734
3-(5-chloro-1-methyl-1H-indol-3-yl)-4-(3-methoxyphenyl)-1H-pyrrole-2,5-dione
CID 46880300
Benzamide, N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-
CID 71449489

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide?
The IUPAC name of 4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide (CID 90718339) is 4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide.
What is the SMILES notation for 4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide?
The canonical SMILES for 4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide is COc1ccc(F)cc1CNC(=O)CCC(C)n1ccc2cc(Cl)ccc21.
What is the InChIKey of 4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide?
The InChIKey is AZIAPXXCACEYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c1-14(25-10-9-15-11-17(22)4-6-19(15)25)3-8-21(26)24-13-16-12-18(23)5-7-20(16)27-2/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,24,26).
What are the key properties of 4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide?
4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide has a molecular weight of 388.87 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloroindol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 90718339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).