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

C18H16ClFN6O2 — CID 7350370

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClFN6O2/c1-25(10-16(27)21-13-8-6-12(20)7-9-13)17(28)11-26-23-18(22-24-26)14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,21,27)
InChIKeyBHLHSUWTPCXSAS-UHFFFAOYSA-N
MW402.82 g/mol
LogP2.23
Rot. Bonds6

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

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 7350370) has the molecular formula C18H16ClFN6O2 and a molecular weight of 402.82 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID7350370
Molecular FormulaC18H16ClFN6O2
Molecular Weight402.82 g/mol
Exact Mass402.10
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClFN6O2/c1-25(10-16(27)21-13-8-6-12(20)7-9-13)17(28)11-26-23-18(22-24-26)14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,21,27)
InChIKeyBHLHSUWTPCXSAS-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

Analyze 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide with MolForge

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Related Compounds

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7489729
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 4810015
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 18273197
N-(3-chloro-4-cyanophenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634919
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 84603611
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7634933
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
N-(2-chloro-4-fluorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4798908
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 4304927
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503180

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide (CID 7350370) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1nnc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is BHLHSUWTPCXSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN6O2/c1-25(10-16(27)21-13-8-6-12(20)7-9-13)17(28)11-26-23-18(22-24-26)14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,21,27).
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-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 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 7350370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).