N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C16H14ClN5O2 — CID 856533

IUPACN-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H14ClN5O2/c1-11-5-6-12(17)7-15(11)19-16(23)9-24-14-4-2-3-13(8-14)22-10-18-20-21-22/h2-8,10H,9H2,1H3,(H,19,23)
InChIKeyNZKCQKQMODKICH-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.64
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 856533) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID856533
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H14ClN5O2/c1-11-5-6-12(17)7-15(11)19-16(23)9-24-14-4-2-3-13(8-14)22-10-18-20-21-22/h2-8,10H,9H2,1H3,(H,19,23)
InChIKeyNZKCQKQMODKICH-UHFFFAOYSA-N
XLogP2.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768398
N-(3-chloro-4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709063
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769056
N-(2,3-dimethylphenyl)-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide
CID 7768966
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 55400343
N-(2-ethyl-6-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 864038
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112
2-(3-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964606
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 50777011
N-[2-(difluoromethoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768469
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803923

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 856533) is N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is Cc1ccc(Cl)cc1NC(=O)COc1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is NZKCQKQMODKICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-11-5-6-12(17)7-15(11)19-16(23)9-24-14-4-2-3-13(8-14)22-10-18-20-21-22/h2-8,10H,9H2,1H3,(H,19,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 343.77 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 856533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).