N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide

C15H17ClN2O — CID 113083858

IUPACN-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1c[nH]c2cc(Cl)ccc12)C1CCC1
InChIInChI=1S/C15H17ClN2O/c16-12-4-5-13-11(9-18-14(13)8-12)6-7-17-15(19)10-2-1-3-10/h4-5,8-10,18H,1-3,6-7H2,(H,17,19)
InChIKeyBKOVMXGUQCKOTM-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.28
Rot. Bonds4

About N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide

N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide (PubChem CID 113083858) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
PubChem CID113083858
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1c[nH]c2cc(Cl)ccc12)C1CCC1
InChIInChI=1S/C15H17ClN2O/c16-12-4-5-13-11(9-18-14(13)8-12)6-7-17-15(19)10-2-1-3-10/h4-5,8-10,18H,1-3,6-7H2,(H,17,19)
InChIKeyBKOVMXGUQCKOTM-UHFFFAOYSA-N
XLogP3.28
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
CID 57250361
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 84580289
2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
CID 113083839
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
CID 113083843
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 66832116
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119706636
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113083842

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide (CID 113083858) is N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide is O=C(NCCc1c[nH]c2cc(Cl)ccc12)C1CCC1.
What is the InChIKey of N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is BKOVMXGUQCKOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-12-4-5-13-11(9-18-14(13)8-12)6-7-17-15(19)10-2-1-3-10/h4-5,8-10,18H,1-3,6-7H2,(H,17,19).
What are the key properties of N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide?
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 276.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 113083858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).