N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

C16H14ClN5O — CID 17014887

IUPACN-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1Cl
InChIInChI=1S/C16H14ClN5O/c1-11-9-13(7-8-14(11)17)18-15(23)10-22-20-16(19-21-22)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyJRTHEYXLPYHXGM-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.94
Rot. Bonds4

About N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 17014887) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID17014887
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC NameN-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1Cl
InChIInChI=1S/C16H14ClN5O/c1-11-9-13(7-8-14(11)17)18-15(23)10-22-20-16(19-21-22)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyJRTHEYXLPYHXGM-UHFFFAOYSA-N
XLogP2.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634201
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 2491710
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9127998
N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634847
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 17014887) is N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is JRTHEYXLPYHXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-11-9-13(7-8-14(11)17)18-15(23)10-22-20-16(19-21-22)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 327.78 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 17014887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).