N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C16H14ClN5O3 — CID 2709072

IUPACN-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1Cl
InChIInChI=1S/C16H14ClN5O3/c1-24-15-6-5-11(7-14(15)17)19-16(23)9-25-13-4-2-3-12(8-13)22-10-18-20-21-22/h2-8,10H,9H2,1H3,(H,19,23)
InChIKeyIBCPYMYHYVUSHW-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.34
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 2709072) has the molecular formula C16H14ClN5O3 and a molecular weight of 359.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID2709072
Molecular FormulaC16H14ClN5O3
Molecular Weight359.77 g/mol
Exact Mass359.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1Cl
InChIInChI=1S/C16H14ClN5O3/c1-24-15-6-5-11(7-14(15)17)19-16(23)9-25-13-4-2-3-12(8-13)22-10-18-20-21-22/h2-8,10H,9H2,1H3,(H,19,23)
InChIKeyIBCPYMYHYVUSHW-UHFFFAOYSA-N
XLogP2.34
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 2709072) is N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is COc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is IBCPYMYHYVUSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3/c1-24-15-6-5-11(7-14(15)17)19-16(23)9-25-13-4-2-3-12(8-13)22-10-18-20-21-22/h2-8,10H,9H2,1H3,(H,19,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 359.77 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 2709072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).