2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide

C17H14ClFN6O2 — CID 8023060

IUPAC2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1nnc(-c2cccc(Cl)c2)n1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H14ClFN6O2/c18-12-3-1-2-11(8-12)17-22-24-25(23-17)10-16(27)20-9-15(26)21-14-6-4-13(19)5-7-14/h1-8H,9-10H2,(H,20,27)(H,21,26)
InChIKeyWIFWSRWJZWURCS-UHFFFAOYSA-N
MW388.79 g/mol
LogP1.89
Rot. Bonds6

About 2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide

2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 8023060) has the molecular formula C17H14ClFN6O2 and a molecular weight of 388.79 g/mol. Its IUPAC name is 2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID8023060
Molecular FormulaC17H14ClFN6O2
Molecular Weight388.79 g/mol
Exact Mass388.09
IUPAC Name2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1nnc(-c2cccc(Cl)c2)n1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H14ClFN6O2/c18-12-3-1-2-11(8-12)17-22-24-25(23-17)10-16(27)20-9-15(26)21-14-6-4-13(19)5-7-14/h1-8H,9-10H2,(H,20,27)(H,21,26)
InChIKeyWIFWSRWJZWURCS-UHFFFAOYSA-N
XLogP1.89
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.79
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-Chlorophenyl)-2,5-dioxo-2,5,6,7-tetrahydro-1H-pyrrolo[3,4-b]pyridin-1-yl]-N-[4-(1H-tetrazol-5-yl)phenyl]acetamide
CID 90646896
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
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
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide
CID 24982613
2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7634191

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide (CID 8023060) is 2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide is O=C(Cn1nnc(-c2cccc(Cl)c2)n1)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is WIFWSRWJZWURCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN6O2/c18-12-3-1-2-11(8-12)17-22-24-25(23-17)10-16(27)20-9-15(26)21-14-6-4-13(19)5-7-14/h1-8H,9-10H2,(H,20,27)(H,21,26).
What are the key properties of 2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide?
2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 388.79 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 8023060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).