2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide

C22H20N6O2 — CID 55544703

IUPAC2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide
SMILESCn1nnnc1-c1cccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H20N6O2/c1-28-22(25-26-27-28)16-6-5-7-18(14-16)23-15-21(29)24-17-10-12-20(13-11-17)30-19-8-3-2-4-9-19/h2-14,23H,15H2,1H3,(H,24,29)
InChIKeyOKAZWZXSNNLLMR-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.72
Rot. Bonds7

About 2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide

2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 55544703) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide
PubChem CID55544703
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide
SMILESCn1nnnc1-c1cccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H20N6O2/c1-28-22(25-26-27-28)16-6-5-7-18(14-16)23-15-21(29)24-17-10-12-20(13-11-17)30-19-8-3-2-4-9-19/h2-14,23H,15H2,1H3,(H,24,29)
InChIKeyOKAZWZXSNNLLMR-UHFFFAOYSA-N
XLogP3.72
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide
CID 55544975
N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977030
2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide
CID 46600516
N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977130
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 55601078
2-(3-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 9098919
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122962

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide (CID 55544703) is 2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide is Cn1nnnc1-c1cccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is OKAZWZXSNNLLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-28-22(25-26-27-28)16-6-5-7-18(14-16)23-15-21(29)24-17-10-12-20(13-11-17)30-19-8-3-2-4-9-19/h2-14,23H,15H2,1H3,(H,24,29).
What are the key properties of 2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide?
2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 400.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 55544703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).