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

C17H16ClN5O2 — CID 7634847

IUPACN-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1Cl
InChIInChI=1S/C17H16ClN5O2/c1-11-5-3-4-6-13(11)17-20-22-23(21-17)10-16(24)19-12-7-8-15(25-2)14(18)9-12/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyMLKUKQQZILNTNU-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.95
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7634847) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID7634847
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1Cl
InChIInChI=1S/C17H16ClN5O2/c1-11-5-3-4-6-13(11)17-20-22-23(21-17)10-16(24)19-12-7-8-15(25-2)14(18)9-12/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyMLKUKQQZILNTNU-UHFFFAOYSA-N
XLogP2.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-(4-chloro-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634787
N-(3-chloro-4-cyanophenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634919
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
N-(2-chloro-4-fluorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4798908
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4845449
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164675
N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 16508624
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 7634847) is N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is COc1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is MLKUKQQZILNTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-11-5-3-4-6-13(11)17-20-22-23(21-17)10-16(24)19-12-7-8-15(25-2)14(18)9-12/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7634847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).