N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

C17H16ClN5O2 — CID 26688041

IUPACN-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(COc3ccccc3)n2)cc1Cl
InChIInChI=1S/C17H16ClN5O2/c1-12-7-8-13(9-15(12)18)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)
InChIKeyNTENBAIJKTWUEW-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.85
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (PubChem CID 26688041) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
PubChem CID26688041
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(COc3ccccc3)n2)cc1Cl
InChIInChI=1S/C17H16ClN5O2/c1-12-7-8-13(9-15(12)18)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)
InChIKeyNTENBAIJKTWUEW-UHFFFAOYSA-N
XLogP2.85
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9070433
N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26691371
N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9083236
N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9091606
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9148157
N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9127998
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea
CID 108888748
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690
N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 51296072

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (CID 26688041) is N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is Cc1ccc(NC(=O)Cn2nnc(COc3ccccc3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The InChIKey is NTENBAIJKTWUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-12-7-8-13(9-15(12)18)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-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 26688041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).