N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide

C17H16FN5O — CID 27537470

IUPACN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2nnnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C17H16FN5O/c1-12-3-2-4-13(9-12)10-17(24)19-11-16-20-21-22-23(16)15-7-5-14(18)6-8-15/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyGBWKLWZZCPDWQU-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.97
Rot. Bonds5

About N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 27537470) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID27537470
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2nnnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C17H16FN5O/c1-12-3-2-4-13(9-12)10-17(24)19-11-16-20-21-22-23(16)15-7-5-14(18)6-8-15/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyGBWKLWZZCPDWQU-UHFFFAOYSA-N
XLogP1.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-1-{3-cyclopentyl-2-[3-fluoro-4-(5-methyl-tetrazol-1-yl)-phenyl]-acryloyl}-3-methyl-urea
CID 10133857
2-Acetylamino-3-(4-fluoro-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 649890
2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3231809
1-[3-({2-[1-(4-fluorophenyl)-1H-tetraazol-5-yl]vinyl}amino)phenyl]ethanone
CID 7285271
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-3,5-bis(trifluoromethyl)benzamide
CID 16030215
N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16799168
N-[2,6-di(propan-2-yl)phenyl]-2-(1-dodecyltetrazol-5-yl)-2-phenylacetamide
CID 9958706
N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetraazol-5-yl]methyl}-2-methylpropanamide
CID 7216944
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}benzamide
CID 7216953
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-2-methylbenzamide
CID 7216954
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-4-fluorobenzamide
CID 16030197
2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3232501

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide (CID 27537470) is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCc2nnnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is GBWKLWZZCPDWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-12-3-2-4-13(9-12)10-17(24)19-11-16-20-21-22-23(16)15-7-5-14(18)6-8-15/h2-9H,10-11H2,1H3,(H,19,24).
What are the key properties of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide?
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 325.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 27537470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).