[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate

C18H14F2N4O4 — CID 2421833

IUPAC[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
SMILESO=C(Cn1nnc(-c2ccccc2)n1)OCC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F2N4O4/c19-18(20)28-14-8-6-12(7-9-14)15(25)11-27-16(26)10-24-22-17(21-23-24)13-4-2-1-3-5-13/h1-9,18H,10-11H2
InChIKeyKSRGZGRDYWRIKR-UHFFFAOYSA-N
MW388.33 g/mol
LogP2.37
Rot. Bonds8

About [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate

[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate (PubChem CID 2421833) has the molecular formula C18H14F2N4O4 and a molecular weight of 388.33 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
PubChem CID2421833
Molecular FormulaC18H14F2N4O4
Molecular Weight388.33 g/mol
Exact Mass388.10
IUPAC Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
SMILESO=C(Cn1nnc(-c2ccccc2)n1)OCC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F2N4O4/c19-18(20)28-14-8-6-12(7-9-14)15(25)11-27-16(26)10-24-22-17(21-23-24)13-4-2-1-3-5-13/h1-9,18H,10-11H2
InChIKeyKSRGZGRDYWRIKR-UHFFFAOYSA-N
XLogP2.37
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3964614
[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825511
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2429143
[2-(4-ethylphenyl)-2-oxoethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8807248
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 16553645
N-[[3-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 4102305
phenacyl 2-[5-(3-hydroxy-2-methoxyphenyl)tetrazol-2-yl]acetate
CID 1156160
4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 7931593
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate
CID 1150139
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate
CID 2356812

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate?
The IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate (CID 2421833) is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate.
What is the SMILES notation for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate?
The canonical SMILES for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate is O=C(Cn1nnc(-c2ccccc2)n1)OCC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate?
The InChIKey is KSRGZGRDYWRIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O4/c19-18(20)28-14-8-6-12(7-9-14)15(25)11-27-16(26)10-24-22-17(21-23-24)13-4-2-1-3-5-13/h1-9,18H,10-11H2.
What are the key properties of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate?
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate has a molecular weight of 388.33 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate is sourced from PubChem (CID 2421833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).