2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide

C23H20FN5O2 — CID 8588061

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccccc2)cc1
InChIInChI=1S/C23H20FN5O2/c1-31-20-13-9-17(10-14-20)22(16-5-3-2-4-6-16)25-21(30)15-29-27-23(26-28-29)18-7-11-19(24)12-8-18/h2-14,22H,15H2,1H3,(H,25,30)/t22-/m1/s1
InChIKeyUNNYIQUZYQJEFA-JOCHJYFZSA-N
MW417.44 g/mol
LogP3.39
Rot. Bonds7

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide (PubChem CID 8588061) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
PubChem CID8588061
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccccc2)cc1
InChIInChI=1S/C23H20FN5O2/c1-31-20-13-9-17(10-14-20)22(16-5-3-2-4-6-16)25-21(30)15-29-27-23(26-28-29)18-7-11-19(24)12-8-18/h2-14,22H,15H2,1H3,(H,25,30)/t22-/m1/s1
InChIKeyUNNYIQUZYQJEFA-JOCHJYFZSA-N
XLogP3.39
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 1465884
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 51883487
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46607871
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9485258
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
ethyl (3R)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate
CID 40774257
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
N-[[(2R)-butan-2-yl]carbamoyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7713348
2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 9046695

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide (CID 8588061) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide is COc1ccc([C@H](NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccccc2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The InChIKey is UNNYIQUZYQJEFA-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-31-20-13-9-17(10-14-20)22(16-5-3-2-4-6-16)25-21(30)15-29-27-23(26-28-29)18-7-11-19(24)12-8-18/h2-14,22H,15H2,1H3,(H,25,30)/t22-/m1/s1.
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide has a molecular weight of 417.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 8588061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).