N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide

C17H14N6O — CID 3995748

IUPACN-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESN#CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N6O/c18-11-10-13-6-8-15(9-7-13)19-16(24)12-23-21-17(20-22-23)14-4-2-1-3-5-14/h1-9H,10,12H2,(H,19,24)
InChIKeyOFRHBJCIGYLBLU-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.04
Rot. Bonds5

About N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 3995748) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID3995748
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESN#CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N6O/c18-11-10-13-6-8-15(9-7-13)19-16(24)12-23-21-17(20-22-23)14-4-2-1-3-5-14/h1-9H,10,12H2,(H,19,24)
InChIKeyOFRHBJCIGYLBLU-UHFFFAOYSA-N
XLogP2.04
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 5299248
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4825124
2-(5-phenyltetrazol-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55921125
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508158
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 154801764
N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 3995748) is N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide is N#CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is OFRHBJCIGYLBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c18-11-10-13-6-8-15(9-7-13)19-16(24)12-23-21-17(20-22-23)14-4-2-1-3-5-14/h1-9H,10,12H2,(H,19,24).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 318.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 3995748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).