2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide

C24H18Cl4N4O — CID 59363128

IUPAC2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1)c1ccccc1
InChIInChI=1S/C24H18Cl4N4O/c1-14(15-5-3-2-4-6-15)29-22(33)13-32-30-23(18-9-7-16(25)11-20(18)27)24(31-32)19-10-8-17(26)12-21(19)28/h2-12,14H,13H2,1H3,(H,29,33)
InChIKeyXLOULLORJZUXIC-UHFFFAOYSA-N
MW520.25 g/mol
LogP7.10
Rot. Bonds6

About 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide

2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide (PubChem CID 59363128) has the molecular formula C24H18Cl4N4O and a molecular weight of 520.25 g/mol. Its IUPAC name is 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide
PubChem CID59363128
Molecular FormulaC24H18Cl4N4O
Molecular Weight520.25 g/mol
Exact Mass518.02
IUPAC Name2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1)c1ccccc1
InChIInChI=1S/C24H18Cl4N4O/c1-14(15-5-3-2-4-6-15)29-22(33)13-32-30-23(18-9-7-16(25)11-20(18)27)24(31-32)19-10-8-17(26)12-21(19)28/h2-12,14H,13H2,1H3,(H,29,33)
InChIKeyXLOULLORJZUXIC-UHFFFAOYSA-N
XLogP7.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.25
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7490847
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 59363260
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55682200
2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2951148
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22198819
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
5-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 1292402
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide (CID 59363128) is 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide is CC(NC(=O)Cn1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1)c1ccccc1.
What is the InChIKey of 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is XLOULLORJZUXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl4N4O/c1-14(15-5-3-2-4-6-15)29-22(33)13-32-30-23(18-9-7-16(25)11-20(18)27)24(31-32)19-10-8-17(26)12-21(19)28/h2-12,14H,13H2,1H3,(H,29,33).
What are the key properties of 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide?
2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 520.25 g/mol, XLogP of 7.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 59363128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).