N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

C16H14FN5O — CID 177372539

IUPACN-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCN(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C16H14FN5O/c1-21(14-10-6-5-9-13(14)17)15(23)11-22-19-16(18-20-22)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyMKRBLNPAAFKDAY-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.14
Rot. Bonds4

About N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 177372539) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID177372539
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC NameN-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCN(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C16H14FN5O/c1-21(14-10-6-5-9-13(14)17)15(23)11-22-19-16(18-20-22)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyMKRBLNPAAFKDAY-UHFFFAOYSA-N
XLogP2.14
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid
CID 119200437
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119173060
N-[(4-bromophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508173
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 26676736
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9485258
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 78866079
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 4810015
N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide
CID 3178935
2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 3179396

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (CID 177372539) is N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is CN(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is MKRBLNPAAFKDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-21(14-10-6-5-9-13(14)17)15(23)11-22-19-16(18-20-22)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 311.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 177372539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).