2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide

C15H13ClN6O — CID 1463687

IUPAC2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide
SMILESNc1ccc(-c2nnn(CC(=O)Nc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C15H13ClN6O/c16-11-2-1-3-13(8-11)18-14(23)9-22-20-15(19-21-22)10-4-6-12(17)7-5-10/h1-8H,9,17H2,(H,18,23)
InChIKeyOHCHDTFDYUUOQT-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.21
Rot. Bonds4

About 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide

2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 1463687) has the molecular formula C15H13ClN6O and a molecular weight of 328.76 g/mol. Its IUPAC name is 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide
PubChem CID1463687
Molecular FormulaC15H13ClN6O
Molecular Weight328.76 g/mol
Exact Mass328.08
IUPAC Name2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide
SMILESNc1ccc(-c2nnn(CC(=O)Nc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C15H13ClN6O/c16-11-2-1-3-13(8-11)18-14(23)9-22-20-15(19-21-22)10-4-6-12(17)7-5-10/h1-8H,9,17H2,(H,18,23)
InChIKeyOHCHDTFDYUUOQT-UHFFFAOYSA-N
XLogP2.21
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164675
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 17478597
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7713296
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(3-hydroxyphenyl)acetamide
CID 860865
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7589299
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
CID 78839406
methyl 3-[[2-(5-pyridin-4-yltetrazol-2-yl)acetyl]amino]benzoate
CID 859178

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide (CID 1463687) is 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide is Nc1ccc(-c2nnn(CC(=O)Nc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide?
The InChIKey is OHCHDTFDYUUOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O/c16-11-2-1-3-13(8-11)18-14(23)9-22-20-15(19-21-22)10-4-6-12(17)7-5-10/h1-8H,9,17H2,(H,18,23).
What are the key properties of 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide?
2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 328.76 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 1463687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).