N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide

C18H25ClN2O — CID 17271856

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H25ClN2O/c1-3-5-6-13(4-2)18(22)20-10-9-14-12-21-17-8-7-15(19)11-16(14)17/h7-8,11-13,21H,3-6,9-10H2,1-2H3,(H,20,22)
InChIKeyCSNFRFGPKZFEMU-UHFFFAOYSA-N
MW320.86 g/mol
LogP4.70
Rot. Bonds8

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide (PubChem CID 17271856) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide
PubChem CID17271856
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H25ClN2O/c1-3-5-6-13(4-2)18(22)20-10-9-14-12-21-17-8-7-15(19)11-16(14)17/h7-8,11-13,21H,3-6,9-10H2,1-2H3,(H,20,22)
InChIKeyCSNFRFGPKZFEMU-UHFFFAOYSA-N
XLogP4.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]hexanamide
CID 17271853
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
(2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide
CID 119280242
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17082685
N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide
CID 113083694
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
CID 17272039
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 19589810

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide (CID 17271856) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide is CCCCC(CC)C(=O)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide?
The InChIKey is CSNFRFGPKZFEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-3-5-6-13(4-2)18(22)20-10-9-14-12-21-17-8-7-15(19)11-16(14)17/h7-8,11-13,21H,3-6,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide has a molecular weight of 320.86 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide is sourced from PubChem (CID 17271856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).