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

C24H23N5O — CID 16799166

IUPACN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide
SMILESCc1ccc(-n2nnnc2CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C24H23N5O/c1-17-8-13-22(14-18(17)2)29-23(26-27-28-29)16-25-24(30)15-19-9-11-21(12-10-19)20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,25,30)
InChIKeyJJLVMIJDKJHTBO-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.81
Rot. Bonds6

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

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16799166) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide
PubChem CID16799166
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide
SMILESCc1ccc(-n2nnnc2CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C24H23N5O/c1-17-8-13-22(14-18(17)2)29-23(26-27-28-29)16-25-24(30)15-19-9-11-21(12-10-19)20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,25,30)
InChIKeyJJLVMIJDKJHTBO-UHFFFAOYSA-N
XLogP3.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.81
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-fluorophenyl)acetamide
CID 22579866
2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide
CID 16799154
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
CID 18565635
(3S)-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40776522
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
CID 16799246
2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide
CID 18565616
N-[(4-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534457
N-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide
CID 7661538
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 77082434
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7534488
N-[(3-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7661613
(3R)-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7216987

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide (CID 16799166) is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide is Cc1ccc(-n2nnnc2CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is JJLVMIJDKJHTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-17-8-13-22(14-18(17)2)29-23(26-27-28-29)16-25-24(30)15-19-9-11-21(12-10-19)20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,25,30).
What are the key properties of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide?
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 3.81, 6 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-phenylphenyl)acetamide is sourced from PubChem (CID 16799166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).