N-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C15H11F2N5O2 — CID 2100383

IUPACN-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N5O2/c16-13-6-1-10(7-14(13)17)19-15(23)8-24-12-4-2-11(3-5-12)22-9-18-20-21-22/h1-7,9H,8H2,(H,19,23)
InChIKeyBVLNXOMDXMTTHE-UHFFFAOYSA-N
MW331.28 g/mol
LogP1.96
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 2100383) has the molecular formula C15H11F2N5O2 and a molecular weight of 331.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID2100383
Molecular FormulaC15H11F2N5O2
Molecular Weight331.28 g/mol
Exact Mass331.09
IUPAC NameN-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N5O2/c16-13-6-1-10(7-14(13)17)19-15(23)8-24-12-4-2-11(3-5-12)22-9-18-20-21-22/h1-7,9H,8H2,(H,19,23)
InChIKeyBVLNXOMDXMTTHE-UHFFFAOYSA-N
XLogP1.96
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 51.96
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
1-(4-phenoxyphenyl)-1H-tetraazole
CID 781454

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 2100383) is N-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is BVLNXOMDXMTTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5O2/c16-13-6-1-10(7-14(13)17)19-15(23)8-24-12-4-2-11(3-5-12)22-9-18-20-21-22/h1-7,9H,8H2,(H,19,23).
What are the key properties of N-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 331.28 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 2100383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).