N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C14H11ClN6O2 — CID 7768398

IUPACN-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)Nc1cccnc1Cl
InChIInChI=1S/C14H11ClN6O2/c15-14-12(5-2-6-16-14)18-13(22)8-23-11-4-1-3-10(7-11)21-9-17-19-20-21/h1-7,9H,8H2,(H,18,22)
InChIKeyIYGKTZVDCWZURJ-UHFFFAOYSA-N
MW330.74 g/mol
LogP1.73
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 7768398) has the molecular formula C14H11ClN6O2 and a molecular weight of 330.74 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID7768398
Molecular FormulaC14H11ClN6O2
Molecular Weight330.74 g/mol
Exact Mass330.06
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)Nc1cccnc1Cl
InChIInChI=1S/C14H11ClN6O2/c15-14-12(5-2-6-16-14)18-13(22)8-23-11-4-1-3-10(7-11)21-9-17-19-20-21/h1-7,9H,8H2,(H,18,22)
InChIKeyIYGKTZVDCWZURJ-UHFFFAOYSA-N
XLogP1.73
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 856533
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455
N-[2-(difluoromethoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768469
N-(3-chloro-4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709063
N-(2,3-dimethylphenyl)-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide
CID 7768966
N-(2,3-dichlorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 1135809
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 55400343
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112
N-(2-ethyl-6-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 864038
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
CID 11223596

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 7768398) is N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1cccc(-n2cnnn2)c1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is IYGKTZVDCWZURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O2/c15-14-12(5-2-6-16-14)18-13(22)8-23-11-4-1-3-10(7-11)21-9-17-19-20-21/h1-7,9H,8H2,(H,18,22).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 330.74 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 7768398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).