2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

C20H21ClN6O2 — CID 84603611

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H21ClN6O2/c1-3-14-6-4-5-7-17(14)22-18(28)12-26(2)19(29)13-27-24-20(23-25-27)15-8-10-16(21)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,22,28)
InChIKeyDKYKZQYMNVQOQS-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.65
Rot. Bonds7

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 84603611) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID84603611
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H21ClN6O2/c1-3-14-6-4-5-7-17(14)22-18(28)12-26(2)19(29)13-27-24-20(23-25-27)15-8-10-16(21)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,22,28)
InChIKeyDKYKZQYMNVQOQS-UHFFFAOYSA-N
XLogP2.65
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 1136557
N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 5301595
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
N-(2-ethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 859943
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9487356
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7489729
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9335080
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2536523
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7350370
N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide
CID 119583894
4-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N,N-diethylbenzamide
CID 42016506

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (CID 84603611) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is CCc1ccccc1NC(=O)CN(C)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is DKYKZQYMNVQOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-3-14-6-4-5-7-17(14)22-18(28)12-26(2)19(29)13-27-24-20(23-25-27)15-8-10-16(21)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,22,28).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 412.88 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 84603611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).