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

C16H14FN5O2 — CID 579006

IUPAC2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C16H14FN5O2/c1-24-12-8-6-11(7-9-12)18-15(23)10-22-20-16(19-21-22)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyFFDGPPFIPSZEKY-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.13
Rot. Bonds5

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

2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 579006) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID579006
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C16H14FN5O2/c1-24-12-8-6-11(7-9-12)18-15(23)10-22-20-16(19-21-22)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyFFDGPPFIPSZEKY-UHFFFAOYSA-N
XLogP2.13
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-((3-((4-(1H-tetrazol-5-yl)benzyl)(methyl)amino)propyl)(methyl)amino)-N-(4-phenoxyphenyl)acetamide
CID 44567664
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(3-methoxyphenyl)methyl]pentanamide
CID 49872869
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 49872871
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 49872960
2-(5-Benzo[1,3]dioxol-5-yl-tetrazol-2-yl)-N-(3-fluoro-4-methyl-phenyl)-acetamide
CID 1080291
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 645244
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 646108
N-(2-{2-[(4-Methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 646949
N-Cyclopentylcarbamoylmethyl-N-(3,4-dimethoxy-phenyl)-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 647440
N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 648837
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(3-methoxy-phenyl)-acetamide
CID 652080
2-[5-(2,3-Dimethoxy-phenyl)-tetrazol-2-yl]-N-(2,4-dimethyl-phenyl)-acetamide
CID 652944

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide (CID 579006) is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1.
What is the InChIKey of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is FFDGPPFIPSZEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-24-12-8-6-11(7-9-12)18-15(23)10-22-20-16(19-21-22)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 327.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 579006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).