N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide

C20H20Cl2N4O — CID 154687791

IUPACN-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccccc1)c1cn(CCc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C20H20Cl2N4O/c1-20(2,23-19(27)15-6-4-3-5-7-15)18-13-26(25-24-18)11-10-14-8-9-16(21)17(22)12-14/h3-9,12-13H,10-11H2,1-2H3,(H,23,27)
InChIKeyLAKXVRNBCJGDFO-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.49
Rot. Bonds6

About N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide

N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide (PubChem CID 154687791) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide
PubChem CID154687791
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC NameN-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccccc1)c1cn(CCc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C20H20Cl2N4O/c1-20(2,23-19(27)15-6-4-3-5-7-15)18-13-26(25-24-18)11-10-14-8-9-16(21)17(22)12-14/h3-9,12-13H,10-11H2,1-2H3,(H,23,27)
InChIKeyLAKXVRNBCJGDFO-UHFFFAOYSA-N
XLogP4.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-[1-(naphthalen-2-ylmethyl)triazol-4-yl]propan-2-yl]benzamide
CID 167374122
2-[4-[2-[(3,4-dichlorobenzoyl)amino]propan-2-yl]triazol-1-yl]ethyl methanesulfonate
CID 154687728
N-[1,1-dibromo-2-[1-(2-hydroxyethyl)triazol-4-yl]propan-2-yl]benzamide
CID 162373977
3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide
CID 154687798
3-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]benzoic acid
CID 122029349
N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 49149193
N-[2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-yl]acetamide
CID 167860304
N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide
CID 49334241
4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 166450183
2-[4-(3,4-dichlorophenyl)butanoylamino]-2-methylpropanoic acid
CID 94966647
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine
CID 154687583
N-[1-[5-benzylsulfanyl-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 4551713

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide?
The IUPAC name of N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide (CID 154687791) is N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide.
What is the SMILES notation for N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide?
The canonical SMILES for N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide is CC(C)(NC(=O)c1ccccc1)c1cn(CCc2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide?
The InChIKey is LAKXVRNBCJGDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c1-20(2,23-19(27)15-6-4-3-5-7-15)18-13-26(25-24-18)11-10-14-8-9-16(21)17(22)12-14/h3-9,12-13H,10-11H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide?
N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide has a molecular weight of 403.31 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(3,4-dichlorophenyl)ethyl]triazol-4-yl]propan-2-yl]benzamide is sourced from PubChem (CID 154687791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).