N-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide

C17H22ClFN2O2 — CID 67671063

IUPACN-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cn(CC)c2c(Cl)c(F)c(OC)cc12
InChIInChI=1S/C17H22ClFN2O2/c1-4-6-14(22)20-8-7-11-10-21(5-2)17-12(11)9-13(23-3)16(19)15(17)18/h9-10H,4-8H2,1-3H3,(H,20,22)
InChIKeyKRFPFTAWKMFQBO-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.92
Rot. Bonds7

About N-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide

N-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide (PubChem CID 67671063) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is N-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide
PubChem CID67671063
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC NameN-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cn(CC)c2c(Cl)c(F)c(OC)cc12
InChIInChI=1S/C17H22ClFN2O2/c1-4-6-14(22)20-8-7-11-10-21(5-2)17-12(11)9-13(23-3)16(19)15(17)18/h9-10H,4-8H2,1-3H3,(H,20,22)
InChIKeyKRFPFTAWKMFQBO-UHFFFAOYSA-N
XLogP3.92
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide
CID 110788062
3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024771
N-[2-(4-methoxynaphthalen-1-yl)ethyl]butanamide
CID 163994355
N-[2-(5-chloro-2-methoxyphenyl)ethyl]pentanamide
CID 110787710
4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898096
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899943
N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide
CID 15341354
N-[2-(7-chloro-6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(6,7-dichloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 67703123
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
CID 113001547
N-[2-(3,5-dichlorophenyl)ethyl]butanamide
CID 110478600
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide?
The IUPAC name of N-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide (CID 67671063) is N-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide is CCCC(=O)NCCc1cn(CC)c2c(Cl)c(F)c(OC)cc12.
What is the InChIKey of N-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide?
The InChIKey is KRFPFTAWKMFQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c1-4-6-14(22)20-8-7-11-10-21(5-2)17-12(11)9-13(23-3)16(19)15(17)18/h9-10H,4-8H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide?
N-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide has a molecular weight of 340.83 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-1-ethyl-6-fluoro-5-methoxyindol-3-yl)ethyl]butanamide is sourced from PubChem (CID 67671063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).