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

C19H19N5O2 — CID 51173918

IUPACN-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H19N5O2/c1-2-6-18(26)20-16-11-9-14(10-12-16)17(25)13-24-22-19(21-23-24)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3,(H,20,26)
InChIKeyWQMPHNFCHKMFPA-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.96
Rot. Bonds7

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

N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide (PubChem CID 51173918) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide
PubChem CID51173918
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H19N5O2/c1-2-6-18(26)20-16-11-9-14(10-12-16)17(25)13-24-22-19(21-23-24)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3,(H,20,26)
InChIKeyWQMPHNFCHKMFPA-UHFFFAOYSA-N
XLogP2.96
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide
CID 7489574
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide
CID 7489526
N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide
CID 1463735
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508158
N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
N-[[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]methyl]acetamide
CID 17410653
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3995748
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
CID 860998

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide (CID 51173918) is N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide?
The InChIKey is WQMPHNFCHKMFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-2-6-18(26)20-16-11-9-14(10-12-16)17(25)13-24-22-19(21-23-24)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3,(H,20,26).
What are the key properties of N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide?
N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide has a molecular weight of 349.39 g/mol, XLogP of 2.96, 7 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]butanamide is sourced from PubChem (CID 51173918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).