2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide

C18H18FN5O — CID 9485258

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5O/c1-13(14-6-4-3-5-7-14)23(2)17(25)12-24-21-18(20-22-24)15-8-10-16(19)11-9-15/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyKSHHWSSTXPZBGT-CYBMUJFWSA-N
MW339.37 g/mol
LogP2.70
Rot. Bonds5

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 9485258) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
PubChem CID9485258
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5O/c1-13(14-6-4-3-5-7-14)23(2)17(25)12-24-21-18(20-22-24)15-8-10-16(19)11-9-15/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyKSHHWSSTXPZBGT-CYBMUJFWSA-N
XLogP2.70
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 78866079
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 134019422
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8588061
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7489729
N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 119584047
N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 177372539
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide
CID 856760
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 7713318
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide
CID 119583894

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide (CID 9485258) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide is C[C@H](c1ccccc1)N(C)C(=O)Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is KSHHWSSTXPZBGT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-13(14-6-4-3-5-7-14)23(2)17(25)12-24-21-18(20-22-24)15-8-10-16(19)11-9-15/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 339.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 9485258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).