2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide

C18H17ClFN5O — CID 78866079

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccccc1F)N(C)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClFN5O/c1-12(15-5-3-4-6-16(15)20)24(2)17(26)11-25-22-18(21-23-25)13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyJSNAUHZUEPHMRQ-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.35
Rot. Bonds5

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 78866079) has the molecular formula C18H17ClFN5O and a molecular weight of 373.82 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID78866079
Molecular FormulaC18H17ClFN5O
Molecular Weight373.82 g/mol
Exact Mass373.11
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccccc1F)N(C)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClFN5O/c1-12(15-5-3-4-6-16(15)20)24(2)17(26)11-25-22-18(21-23-25)13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyJSNAUHZUEPHMRQ-UHFFFAOYSA-N
XLogP3.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9485258
N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide
CID 119583894
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 3179396
N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 177372539
2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 3179828
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 42016405
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 134019422
N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 119584047
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 1454654
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 31129926
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 84603611

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide (CID 78866079) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide is CC(c1ccccc1F)N(C)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is JSNAUHZUEPHMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O/c1-12(15-5-3-4-6-16(15)20)24(2)17(26)11-25-22-18(21-23-25)13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 373.82 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 78866079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).