N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C16H14BrN5O2 — CID 2709037

IUPACN-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)ccc1Br
InChIInChI=1S/C16H14BrN5O2/c1-11-8-12(2-7-15(11)17)19-16(23)9-24-14-5-3-13(4-6-14)22-10-18-20-21-22/h2-8,10H,9H2,1H3,(H,19,23)
InChIKeyAHMKWOHXNSKYIX-UHFFFAOYSA-N
MW388.23 g/mol
LogP2.75
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 2709037) has the molecular formula C16H14BrN5O2 and a molecular weight of 388.23 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID2709037
Molecular FormulaC16H14BrN5O2
Molecular Weight388.23 g/mol
Exact Mass387.03
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)ccc1Br
InChIInChI=1S/C16H14BrN5O2/c1-11-8-12(2-7-15(11)17)19-16(23)9-24-14-5-3-13(4-6-14)22-10-18-20-21-22/h2-8,10H,9H2,1H3,(H,19,23)
InChIKeyAHMKWOHXNSKYIX-UHFFFAOYSA-N
XLogP2.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 17011484
ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
CID 1259832
N-(4-propan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709032
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 26728522
2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55500018
tert-butyl N-[4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
CID 67163217
2-naphthalen-2-yloxy-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2579424
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467598
N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556162
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 46428269
N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174629
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 2709037) is N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is Cc1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is AHMKWOHXNSKYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O2/c1-11-8-12(2-7-15(11)17)19-16(23)9-24-14-5-3-13(4-6-14)22-10-18-20-21-22/h2-8,10H,9H2,1H3,(H,19,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 388.23 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 2709037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).