2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide

C19H19ClN6O2 — CID 84603667

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H19ClN6O2/c20-15-7-5-14(6-8-15)19-22-24-26(23-19)13-18(27)21-16-3-1-2-4-17(16)25-9-11-28-12-10-25/h1-8H,9-13H2,(H,21,27)
InChIKeyKLKFQTYUIBICPH-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.47
Rot. Bonds5

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 84603667) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID84603667
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H19ClN6O2/c20-15-7-5-14(6-8-15)19-22-24-26(23-19)13-18(27)21-16-3-1-2-4-17(16)25-9-11-28-12-10-25/h1-8H,9-13H2,(H,21,27)
InChIKeyKLKFQTYUIBICPH-UHFFFAOYSA-N
XLogP2.47
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166107
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 30386021
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16517343
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 1078563
N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1136633
N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide
CID 1157244
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 24564897
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2654914
N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide
CID 110688626
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 46979968

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 84603667) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide is O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is KLKFQTYUIBICPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c20-15-7-5-14(6-8-15)19-22-24-26(23-19)13-18(27)21-16-3-1-2-4-17(16)25-9-11-28-12-10-25/h1-8H,9-13H2,(H,21,27).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 398.85 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 84603667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).