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

C18H14ClFN6O — CID 42569664

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C18H14ClFN6O/c19-12-1-3-16-14(7-12)11(9-22-16)5-6-21-18(27)15-8-13(20)2-4-17(15)26-10-23-24-25-26/h1-4,7-10,22H,5-6H2,(H,21,27)
InChIKeyMUYAYLXCBSMNHB-UHFFFAOYSA-N
MW384.80 g/mol
LogP2.91
Rot. Bonds5

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide (PubChem CID 42569664) has the molecular formula C18H14ClFN6O and a molecular weight of 384.80 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide
PubChem CID42569664
Molecular FormulaC18H14ClFN6O
Molecular Weight384.80 g/mol
Exact Mass384.09
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C18H14ClFN6O/c19-12-1-3-16-14(7-12)11(9-22-16)5-6-21-18(27)15-8-13(20)2-4-17(15)26-10-23-24-25-26/h1-4,7-10,22H,5-6H2,(H,21,27)
InChIKeyMUYAYLXCBSMNHB-UHFFFAOYSA-N
XLogP2.91
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide (CID 42569664) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide?
The InChIKey is MUYAYLXCBSMNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN6O/c19-12-1-3-16-14(7-12)11(9-22-16)5-6-21-18(27)15-8-13(20)2-4-17(15)26-10-23-24-25-26/h1-4,7-10,22H,5-6H2,(H,21,27).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide has a molecular weight of 384.80 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-fluoro-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42569664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).