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

C18H18FN5O — CID 22579866

IUPACN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2nnnc2CNC(=O)Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C18H18FN5O/c1-12-3-8-16(9-13(12)2)24-17(21-22-23-24)11-20-18(25)10-14-4-6-15(19)7-5-14/h3-9H,10-11H2,1-2H3,(H,20,25)
InChIKeyMIIQSBOZJANVCY-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.28
Rot. Bonds5

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

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 22579866) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
PubChem CID22579866
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2nnnc2CNC(=O)Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C18H18FN5O/c1-12-3-8-16(9-13(12)2)24-17(21-22-23-24)11-20-18(25)10-14-4-6-15(19)7-5-14/h3-9H,10-11H2,1-2H3,(H,20,25)
InChIKeyMIIQSBOZJANVCY-UHFFFAOYSA-N
XLogP2.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16799166
(3R)-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7216987
2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide
CID 16799154
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 27451445
1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 18566113
(Z)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]but-2-enamide
CID 18565795
2-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]acetamide
CID 16799275
2-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799279
4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 27548864
1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53125231
N-[(4-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534457
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 16799307

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide (CID 22579866) is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide is Cc1ccc(-n2nnnc2CNC(=O)Cc2ccc(F)cc2)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is MIIQSBOZJANVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-12-3-8-16(9-13(12)2)24-17(21-22-23-24)11-20-18(25)10-14-4-6-15(19)7-5-14/h3-9H,10-11H2,1-2H3,(H,20,25).
What are the key properties of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide?
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 339.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 22579866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).