N-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

C18H16F3N5O — CID 5295723

IUPACN-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1)NCCc1ccccc1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)15-8-6-14(7-9-15)17-23-25-26(24-17)12-16(27)22-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,22,27)
InChIKeyUPCORIDIQFBIEX-UHFFFAOYSA-N
MW375.35 g/mol
LogP2.72
Rot. Bonds6

About N-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

N-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 5295723) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID5295723
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC NameN-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1)NCCc1ccccc1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)15-8-6-14(7-9-15)17-23-25-26(24-17)12-16(27)22-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,22,27)
InChIKeyUPCORIDIQFBIEX-UHFFFAOYSA-N
XLogP2.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
CID 10239095
1-Piperidin-1-yl-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 863245
2-(5-Phenyltetrazol-2-yl)-1-piperidin-1-ylethanone
CID 866087
2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-1-(3-methyl-piperidin-1-yl)-ethanone
CID 591008
2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 5018540
2-[cyclohexyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347956
2-[cyclohexyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347971
2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347992
2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide
CID 53347998
2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-1-piperidin-1-yl-ethanone
CID 590954
N-Cyclopentyl-3-(5-p-tolyl-tetrazol-2-yl)-propionamide
CID 645245
N-Cyclopentyl-N-cyclopentylcarbamoylmethyl-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 646964

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 5295723) is N-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is UPCORIDIQFBIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c19-18(20,21)15-8-6-14(7-9-15)17-23-25-26(24-17)12-16(27)22-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,22,27).
What are the key properties of N-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 375.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 5295723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).