N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide

C15H17ClN2O2 — CID 57250361

IUPACN-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1c[nH]c2cc(OCCl)ccc12)C1CC1
InChIInChI=1S/C15H17ClN2O2/c16-9-20-12-3-4-13-11(8-18-14(13)7-12)5-6-17-15(19)10-1-2-10/h3-4,7-8,10,18H,1-2,5-6,9H2,(H,17,19)
InChIKeyVVSVNKBZFOPONL-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.81
Rot. Bonds6

About N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide

N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide (PubChem CID 57250361) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
PubChem CID57250361
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1c[nH]c2cc(OCCl)ccc12)C1CC1
InChIInChI=1S/C15H17ClN2O2/c16-9-20-12-3-4-13-11(8-18-14(13)7-12)5-6-17-15(19)10-1-2-10/h3-4,7-8,10,18H,1-2,5-6,9H2,(H,17,19)
InChIKeyVVSVNKBZFOPONL-UHFFFAOYSA-N
XLogP2.81
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 84580289
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113083858
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 60520759
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
CID 21071678

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide (CID 57250361) is N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide is O=C(NCCc1c[nH]c2cc(OCCl)ccc12)C1CC1.
What is the InChIKey of N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is VVSVNKBZFOPONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-9-20-12-3-4-13-11(8-18-14(13)7-12)5-6-17-15(19)10-1-2-10/h3-4,7-8,10,18H,1-2,5-6,9H2,(H,17,19).
What are the key properties of N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide?
N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 57250361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).