N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

C17H16BrN5O2 — CID 9091606

IUPACN-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cn1nnc(COc2ccccc2)n1
InChIInChI=1S/C17H16BrN5O2/c1-12-9-13(18)7-8-15(12)19-17(24)10-23-21-16(20-22-23)11-25-14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyXTRZWSSOMYOIKS-UHFFFAOYSA-N
MW402.25 g/mol
LogP2.96
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (PubChem CID 9091606) has the molecular formula C17H16BrN5O2 and a molecular weight of 402.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
PubChem CID9091606
Molecular FormulaC17H16BrN5O2
Molecular Weight402.25 g/mol
Exact Mass401.05
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cn1nnc(COc2ccccc2)n1
InChIInChI=1S/C17H16BrN5O2/c1-12-9-13(18)7-8-15(12)19-17(24)10-23-21-16(20-22-23)11-25-14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyXTRZWSSOMYOIKS-UHFFFAOYSA-N
XLogP2.96
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634164
N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26688041
N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26691371
N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9070433
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
N-(4-bromo-2-methylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 26685438
N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9071036
N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9083236
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9082707
N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 51296072
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9148157
N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide
CID 110688631

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (CID 9091606) is N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is Cc1cc(Br)ccc1NC(=O)Cn1nnc(COc2ccccc2)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The InChIKey is XTRZWSSOMYOIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O2/c1-12-9-13(18)7-8-15(12)19-17(24)10-23-21-16(20-22-23)11-25-14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H,19,24).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide has a molecular weight of 402.25 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 9091606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).