N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide

C18H16ClFN6O2 — CID 24982613

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16ClFN6O2/c1-25(10-16(27)21-15-5-3-2-4-14(15)19)17(28)11-26-23-18(22-24-26)12-6-8-13(20)9-7-12/h2-9H,10-11H2,1H3,(H,21,27)
InChIKeyZOZJDVUTXUKKAE-UHFFFAOYSA-N
MW402.82 g/mol
LogP2.23
Rot. Bonds6

About N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide

N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide (PubChem CID 24982613) has the molecular formula C18H16ClFN6O2 and a molecular weight of 402.82 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide
PubChem CID24982613
Molecular FormulaC18H16ClFN6O2
Molecular Weight402.82 g/mol
Exact Mass402.10
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16ClFN6O2/c1-25(10-16(27)21-15-5-3-2-4-14(15)19)17(28)11-26-23-18(22-24-26)12-6-8-13(20)9-7-12/h2-9H,10-11H2,1H3,(H,21,27)
InChIKeyZOZJDVUTXUKKAE-UHFFFAOYSA-N
XLogP2.23
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.82
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-4-[(5-phenyl-2H-tetrazol-2-yl)acetyl]piperazine
CID 1264121
2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide
CID 169450740
N-Cyclopentylcarbamoylmethyl-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-N-p-tolyl-acetamide
CID 3179740
N-Cyclopentylcarbamoylmethyl-N-(3-fluoro-phenyl)-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 3179767
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7278076
N-methyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 24982892
N-(2-Chloro-4-{2-[2-(4-fluoro-phenyl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-acetamide
CID 1444200
2-[N-(4-Fluorophenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-YL]acetamido]-N-(3-methylbutyl)acetamide
CID 3179345
N-Cyclopentylcarbamoylmethyl-N-(4-fluoro-phenyl)-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 3179772
N-Cyclopentyl-2-((2-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-propionamide
CID 3179858
N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3180823
N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 3220587

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide (CID 24982613) is N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide?
The InChIKey is ZOZJDVUTXUKKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN6O2/c1-25(10-16(27)21-15-5-3-2-4-14(15)19)17(28)11-26-23-18(22-24-26)12-6-8-13(20)9-7-12/h2-9H,10-11H2,1H3,(H,21,27).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide has a molecular weight of 402.82 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 24982613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).