N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide

C20H17N5O — CID 75414451

IUPACN-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc2ccccc2c1
InChIInChI=1S/C20H17N5O/c26-19(14-25-23-20(22-24-25)17-7-2-1-3-8-17)21-13-15-10-11-16-6-4-5-9-18(16)12-15/h1-12H,13-14H2,(H,21,26)
InChIKeyFDXXYMNPCGEXEW-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.81
Rot. Bonds5

About N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 75414451) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID75414451
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc2ccccc2c1
InChIInChI=1S/C20H17N5O/c26-19(14-25-23-20(22-24-25)17-7-2-1-3-8-17)21-13-15-10-11-16-6-4-5-9-18(16)12-15/h1-12H,13-14H2,(H,21,26)
InChIKeyFDXXYMNPCGEXEW-UHFFFAOYSA-N
XLogP2.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide
CID 9468291
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide
CID 8505278
N-benzyl-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 866054
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
N-[(4-methoxyphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2115697
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 51130312
N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide
CID 17410653
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 75414451) is N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc2ccccc2c1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is FDXXYMNPCGEXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c26-19(14-25-23-20(22-24-25)17-7-2-1-3-8-17)21-13-15-10-11-16-6-4-5-9-18(16)12-15/h1-12H,13-14H2,(H,21,26).
What are the key properties of N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 343.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 75414451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).