6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one

C21H18ClN5O2 — CID 70346283

IUPAC6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one
SMILESO=c1cccc(CCc2cc(Cl)ccc2OCc2ccccc2)n1-n1ncnn1
InChIInChI=1S/C21H18ClN5O2/c22-18-10-12-20(29-14-16-5-2-1-3-6-16)17(13-18)9-11-19-7-4-8-21(28)26(19)27-24-15-23-25-27/h1-8,10,12-13,15H,9,11,14H2
InChIKeyBEQWEBOHQAWWFL-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.16
Rot. Bonds7

About 6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one

6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one (PubChem CID 70346283) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one
PubChem CID70346283
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one
SMILESO=c1cccc(CCc2cc(Cl)ccc2OCc2ccccc2)n1-n1ncnn1
InChIInChI=1S/C21H18ClN5O2/c22-18-10-12-20(29-14-16-5-2-1-3-6-16)17(13-18)9-11-19-7-4-8-21(28)26(19)27-24-15-23-25-27/h1-8,10,12-13,15H,9,11,14H2
InChIKeyBEQWEBOHQAWWFL-UHFFFAOYSA-N
XLogP3.16
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one
CID 18973989
6-[5-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]tetrazol-2-yl]-1H-pyridin-2-one
CID 54309672
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide
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2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile
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4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 67659151
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 4727407
1-[2-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20994061
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
2-(3-phenylmethoxyphenyl)tetrazole
CID 54488600

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one?
The IUPAC name of 6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one (CID 70346283) is 6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one.
What is the SMILES notation for 6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one?
The canonical SMILES for 6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one is O=c1cccc(CCc2cc(Cl)ccc2OCc2ccccc2)n1-n1ncnn1.
What is the InChIKey of 6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one?
The InChIKey is BEQWEBOHQAWWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c22-18-10-12-20(29-14-16-5-2-1-3-6-16)17(13-18)9-11-19-7-4-8-21(28)26(19)27-24-15-23-25-27/h1-8,10,12-13,15H,9,11,14H2.
What are the key properties of 6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one?
6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one has a molecular weight of 407.86 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one is sourced from PubChem (CID 70346283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).