2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide

C18H14F3N5O3 — CID 1463734

IUPAC2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C(F)(F)F)n2)cc1
InChIInChI=1S/C18H14F3N5O3/c1-29-12-8-6-11(7-9-12)15(27)10-26-24-16(23-25-26)13-4-2-3-5-14(13)22-17(28)18(19,20)21/h2-9H,10H2,1H3,(H,22,28)
InChIKeyOEVRPSFYOJRUGA-UHFFFAOYSA-N
MW405.34 g/mol
LogP2.73
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide

2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide (PubChem CID 1463734) has the molecular formula C18H14F3N5O3 and a molecular weight of 405.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide
PubChem CID1463734
Molecular FormulaC18H14F3N5O3
Molecular Weight405.34 g/mol
Exact Mass405.10
IUPAC Name2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C(F)(F)F)n2)cc1
InChIInChI=1S/C18H14F3N5O3/c1-29-12-8-6-11(7-9-12)15(27)10-26-24-16(23-25-26)13-4-2-3-5-14(13)22-17(28)18(19,20)21/h2-9H,10H2,1H3,(H,22,28)
InChIKeyOEVRPSFYOJRUGA-UHFFFAOYSA-N
XLogP2.73
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide (CID 1463734) is 2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide is COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C(F)(F)F)n2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide?
The InChIKey is OEVRPSFYOJRUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O3/c1-29-12-8-6-11(7-9-12)15(27)10-26-24-16(23-25-26)13-4-2-3-5-14(13)22-17(28)18(19,20)21/h2-9H,10H2,1H3,(H,22,28).
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide has a molecular weight of 405.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 1463734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).