N-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide

C19H16Cl2F3N5O — CID 56690065

IUPACN-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCc1cccc(C)c1-n1nnnc1C(c1ccc(Cl)cc1Cl)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C19H16Cl2F3N5O/c1-10-5-4-6-11(2)15(10)29-17(25-26-27-29)16(28(3)18(30)19(22,23)24)13-8-7-12(20)9-14(13)21/h4-9,16H,1-3H3
InChIKeyUCFXMOQXAAPOGP-UHFFFAOYSA-N
MW458.27 g/mol
LogP4.70
Rot. Bonds4

About N-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide

N-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 56690065) has the molecular formula C19H16Cl2F3N5O and a molecular weight of 458.27 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID56690065
Molecular FormulaC19H16Cl2F3N5O
Molecular Weight458.27 g/mol
Exact Mass457.07
IUPAC NameN-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCc1cccc(C)c1-n1nnnc1C(c1ccc(Cl)cc1Cl)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C19H16Cl2F3N5O/c1-10-5-4-6-11(2)15(10)29-17(25-26-27-29)16(28(3)18(30)19(22,23)24)13-8-7-12(20)9-14(13)21/h4-9,16H,1-3H3
InChIKeyUCFXMOQXAAPOGP-UHFFFAOYSA-N
XLogP4.70
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.27
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide (CID 56690065) is N-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide is Cc1cccc(C)c1-n1nnnc1C(c1ccc(Cl)cc1Cl)N(C)C(=O)C(F)(F)F.
What is the InChIKey of N-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is UCFXMOQXAAPOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F3N5O/c1-10-5-4-6-11(2)15(10)29-17(25-26-27-29)16(28(3)18(30)19(22,23)24)13-8-7-12(20)9-14(13)21/h4-9,16H,1-3H3.
What are the key properties of N-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 458.27 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 56690065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).