2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide

C17H15F2N5O2 — CID 177372549

IUPAC2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide
SMILESCOc1cc(-c2nnn(CC(=O)N(C)c3ccc(F)cc3)n2)ccc1F
InChIInChI=1S/C17H15F2N5O2/c1-23(13-6-4-12(18)5-7-13)16(25)10-24-21-17(20-22-24)11-3-8-14(19)15(9-11)26-2/h3-9H,10H2,1-2H3
InChIKeyKFPLLMPUAGAPHF-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.29
Rot. Bonds5

About 2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide

2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide (PubChem CID 177372549) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide
PubChem CID177372549
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide
SMILESCOc1cc(-c2nnn(CC(=O)N(C)c3ccc(F)cc3)n2)ccc1F
InChIInChI=1S/C17H15F2N5O2/c1-23(13-6-4-12(18)5-7-13)16(25)10-24-21-17(20-22-24)11-3-8-14(19)15(9-11)26-2/h3-9H,10H2,1-2H3
InChIKeyKFPLLMPUAGAPHF-UHFFFAOYSA-N
XLogP2.29
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7887102
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 26676736
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
N-(2,4-difluorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1080294
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 8509816
(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)propanamide
CID 40586380
N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3,4-dimethoxyanilino)-2-(5-methylfuran-2-yl)acetamide
CID 3179176
1-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 7489523
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 7713318
(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)butanamide
CID 40645572
N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 177372539

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of 2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide (CID 177372549) is 2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide is COc1cc(-c2nnn(CC(=O)N(C)c3ccc(F)cc3)n2)ccc1F.
What is the InChIKey of 2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is KFPLLMPUAGAPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c1-23(13-6-4-12(18)5-7-13)16(25)10-24-21-17(20-22-24)11-3-8-14(19)15(9-11)26-2/h3-9H,10H2,1-2H3.
What are the key properties of 2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide?
2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 359.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 177372549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).