N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide

C18H22ClFN2O2 — CID 136555638

IUPACN-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide
SMILESCOC1CCCC(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)C1
InChIInChI=1S/C18H22ClFN2O2/c1-24-13-4-2-3-11(7-13)18(23)21-6-5-12-10-22-17-9-16(20)15(19)8-14(12)17/h8-11,13,22H,2-7H2,1H3,(H,21,23)
InChIKeyHNMMZBOHXOEMFG-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide

N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide (PubChem CID 136555638) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide
PubChem CID136555638
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC NameN-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide
SMILESCOC1CCCC(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)C1
InChIInChI=1S/C18H22ClFN2O2/c1-24-13-4-2-3-11(7-13)18(23)21-6-5-12-10-22-17-9-16(20)15(19)8-14(12)17/h8-11,13,22H,2-7H2,1H3,(H,21,23)
InChIKeyHNMMZBOHXOEMFG-UHFFFAOYSA-N
XLogP3.82
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide (CID 136555638) is N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide is COC1CCCC(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)C1.
What is the InChIKey of N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide?
The InChIKey is HNMMZBOHXOEMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O2/c1-24-13-4-2-3-11(7-13)18(23)21-6-5-12-10-22-17-9-16(20)15(19)8-14(12)17/h8-11,13,22H,2-7H2,1H3,(H,21,23).
What are the key properties of N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide?
N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide has a molecular weight of 352.84 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-3-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 136555638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).