N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide

C19H21FN6O3 — CID 56574385

IUPACN-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CNc2cc(-n3cnnn3)ccc2F)c1
InChIInChI=1S/C19H21FN6O3/c1-3-28-14-6-8-18(29-4-2)17(10-14)23-19(27)11-21-16-9-13(5-7-15(16)20)26-12-22-24-25-26/h5-10,12,21H,3-4,11H2,1-2H3,(H,23,27)
InChIKeyRDQNYBIYVNEEDY-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.65
Rot. Bonds9

About N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide

N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide (PubChem CID 56574385) has the molecular formula C19H21FN6O3 and a molecular weight of 400.41 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide
PubChem CID56574385
Molecular FormulaC19H21FN6O3
Molecular Weight400.41 g/mol
Exact Mass400.17
IUPAC NameN-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CNc2cc(-n3cnnn3)ccc2F)c1
InChIInChI=1S/C19H21FN6O3/c1-3-28-14-6-8-18(29-4-2)17(10-14)23-19(27)11-21-16-9-13(5-7-15(16)20)26-12-22-24-25-26/h5-10,12,21H,3-4,11H2,1-2H3,(H,23,27)
InChIKeyRDQNYBIYVNEEDY-UHFFFAOYSA-N
XLogP2.65
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-2-[3-(1H-tetraazol-1-yl)phenoxy]acetamide
CID 1140121
N-(2-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 647163
N-(2-Ethoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 654404
N-(4-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 1140123
N-Cyclohexyl-2-[3-(1,2,3,4-tetrazol-1-YL)phenoxy]acetamide
CID 864028
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2477122
N-Phenyl-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 856182
2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-[4-(1-tetrazolyl)phenyl]acetamide
CID 1439460
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 1448653
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2620828
N-(2,5-dimethoxyphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 5298020
N-(3-fluorophenyl)-2-[3-(1H-tetrazol-1-yl)phenoxy]acetamide
CID 863096

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide (CID 56574385) is N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide is CCOc1ccc(OCC)c(NC(=O)CNc2cc(-n3cnnn3)ccc2F)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide?
The InChIKey is RDQNYBIYVNEEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O3/c1-3-28-14-6-8-18(29-4-2)17(10-14)23-19(27)11-21-16-9-13(5-7-15(16)20)26-12-22-24-25-26/h5-10,12,21H,3-4,11H2,1-2H3,(H,23,27).
What are the key properties of N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide?
N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide has a molecular weight of 400.41 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide is sourced from PubChem (CID 56574385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).