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

C18H17N5O2 — CID 17410653

IUPACN-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H17N5O2/c1-13(24)19-11-14-7-9-15(10-8-14)17(25)12-23-21-18(20-22-23)16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,19,24)
InChIKeyQNIBSETVOGAQDR-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.86
Rot. Bonds6

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

N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide (PubChem CID 17410653) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide
PubChem CID17410653
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H17N5O2/c1-13(24)19-11-14-7-9-15(10-8-14)17(25)12-23-21-18(20-22-23)16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,19,24)
InChIKeyQNIBSETVOGAQDR-UHFFFAOYSA-N
XLogP1.86
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide
CID 51173918
N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 75414451
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide
CID 40764733
1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 7277959
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide
CID 7489526
4-(methoxymethyl)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 8635386
N-benzyl-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 866054
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide (CID 17410653) is N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide?
The InChIKey is QNIBSETVOGAQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-13(24)19-11-14-7-9-15(10-8-14)17(25)12-23-21-18(20-22-23)16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,19,24).
What are the key properties of N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide?
N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide is sourced from PubChem (CID 17410653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).