N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C18H16F3N5O2 — CID 167242614

IUPACN-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16F3N5O2/c1-2-25(14-8-10-15(11-9-14)28-18(19,20)21)16(27)12-26-23-17(22-24-26)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyNHTVDKXCJICEKX-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.29
Rot. Bonds6

About N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 167242614) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID167242614
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC NameN-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16F3N5O2/c1-2-25(14-8-10-15(11-9-14)28-18(19,20)21)16(27)12-26-23-17(22-24-26)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyNHTVDKXCJICEKX-UHFFFAOYSA-N
XLogP3.29
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 167242614) is N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is CCN(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is NHTVDKXCJICEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-2-25(14-8-10-15(11-9-14)28-18(19,20)21)16(27)12-26-23-17(22-24-26)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 391.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 167242614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).