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

C17H15Cl2N5O — CID 16799154

IUPAC2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C17H15Cl2N5O/c1-10-3-5-13(7-11(10)2)24-16(21-22-23-24)9-20-17(25)14-6-4-12(18)8-15(14)19/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyWIIKXHNUHDVLED-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.52
Rot. Bonds4

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

2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide (PubChem CID 16799154) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide
PubChem CID16799154
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC Name2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C17H15Cl2N5O/c1-10-3-5-13(7-11(10)2)24-16(21-22-23-24)9-20-17(25)14-6-4-12(18)8-15(14)19/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyWIIKXHNUHDVLED-UHFFFAOYSA-N
XLogP3.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.52
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
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16799166
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
CID 27452404
N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858337
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide
CID 18565743
5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799284
2,4-dichloro-N-[[5-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 1289966
4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 27548864
4-chloro-2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-propylbenzamide
CID 55988428
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 18565796
2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide
CID 4750116
N-[(4-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534457

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide (CID 16799154) is 2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide is Cc1ccc(-n2nnnc2CNC(=O)c2ccc(Cl)cc2Cl)cc1C.
What is the InChIKey of 2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide?
The InChIKey is WIIKXHNUHDVLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c1-10-3-5-13(7-11(10)2)24-16(21-22-23-24)9-20-17(25)14-6-4-12(18)8-15(14)19/h3-8H,9H2,1-2H3,(H,20,25).
What are the key properties of 2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide?
2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide has a molecular weight of 376.25 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 16799154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).