2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide

C15H12FN5O2 — CID 828490

IUPAC2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H12FN5O2/c16-11-1-7-14(8-2-11)23-9-15(22)18-12-3-5-13(6-4-12)21-10-17-19-20-21/h1-8,10H,9H2,(H,18,22)
InChIKeyTUKVZCHKPCKBTL-UHFFFAOYSA-N
MW313.29 g/mol
LogP1.82
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 828490) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID828490
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC Name2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H12FN5O2/c16-11-1-7-14(8-2-11)23-9-15(22)18-12-3-5-13(6-4-12)21-10-17-19-20-21/h1-8,10H,9H2,(H,18,22)
InChIKeyTUKVZCHKPCKBTL-UHFFFAOYSA-N
XLogP1.82
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-Chloro-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 1080270
N-(2-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864036
N-(3-methoxyphenyl)-2-[3-(1H-tetraazol-1-yl)phenoxy]acetamide
CID 1140121
N-(3,4-Dimethyl-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 886651
N-(3-chloro-4-fluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2519672
N-(4-Nitro-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 3165713
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-(2,3-Dichloro-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 1135809
N-(4-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864037
N-(4-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 1140123
2-[4-(Tetrazol-1-yl)phenoxy]acetamide
CID 817506

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 828490) is 2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(COc1ccc(F)cc1)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is TUKVZCHKPCKBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c16-11-1-7-14(8-2-11)23-9-15(22)18-12-3-5-13(6-4-12)21-10-17-19-20-21/h1-8,10H,9H2,(H,18,22).
What are the key properties of 2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 313.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 828490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).