2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide

C17H21ClN2O2 — CID 111426163

IUPAC2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)NCC(O)C1CCCC1
InChIInChI=1S/C17H21ClN2O2/c18-13-5-6-14-12(9-19-15(14)8-13)7-17(22)20-10-16(21)11-3-1-2-4-11/h5-6,8-9,11,16,19,21H,1-4,7,10H2,(H,20,22)
InChIKeyKSUUFZMCISPWDZ-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.03
Rot. Bonds5

About 2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide

2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide (PubChem CID 111426163) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
PubChem CID111426163
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)NCC(O)C1CCCC1
InChIInChI=1S/C17H21ClN2O2/c18-13-5-6-14-12(9-19-15(14)8-13)7-17(22)20-10-16(21)11-3-1-2-4-11/h5-6,8-9,11,16,19,21H,1-4,7,10H2,(H,20,22)
InChIKeyKSUUFZMCISPWDZ-UHFFFAOYSA-N
XLogP3.03
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide
CID 111425971
N-(2-cyclopentyl-2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 111425991
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110931259
4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol
CID 78968534
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113083858
2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113209736
2-(6-chloro-1H-indol-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 113209805
5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
CID 111425951
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylcyclohexan-1-amine
CID 78968600
N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
CID 86970189
2-(5-chloro-1H-indol-3-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 111697345

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide (CID 111426163) is 2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide is O=C(Cc1c[nH]c2cc(Cl)ccc12)NCC(O)C1CCCC1.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide?
The InChIKey is KSUUFZMCISPWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-13-5-6-14-12(9-19-15(14)8-13)7-17(22)20-10-16(21)11-3-1-2-4-11/h5-6,8-9,11,16,19,21H,1-4,7,10H2,(H,20,22).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide?
2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide has a molecular weight of 320.82 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide is sourced from PubChem (CID 111426163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).