N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

C18H21FN6O — CID 56762689

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C18H21FN6O/c19-14-4-5-16-15(10-14)13(11-21-16)6-9-20-17(26)18(7-2-1-3-8-18)25-12-22-23-24-25/h4-5,10-12,21H,1-3,6-9H2,(H,20,26)
InChIKeyUMJCNQBTJFFBMU-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 56762689) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID56762689
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C18H21FN6O/c19-14-4-5-16-15(10-14)13(11-21-16)6-9-20-17(26)18(7-2-1-3-8-18)25-12-22-23-24-25/h4-5,10-12,21H,1-3,6-9H2,(H,20,26)
InChIKeyUMJCNQBTJFFBMU-UHFFFAOYSA-N
XLogP2.31
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 56762689) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is O=C(NCCc1c[nH]c2ccc(F)cc12)C1(n2cnnn2)CCCCC1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is UMJCNQBTJFFBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O/c19-14-4-5-16-15(10-14)13(11-21-16)6-9-20-17(26)18(7-2-1-3-8-18)25-12-22-23-24-25/h4-5,10-12,21H,1-3,6-9H2,(H,20,26).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 56762689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).