4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide

C23H16Cl4N4O — CID 59363153

IUPAC4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)n1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C23H16Cl4N4O/c24-15-6-8-17(19(26)12-15)21-22(18-9-7-16(25)13-20(18)27)30-31(29-21)23(32)28-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,28,32)
InChIKeyATLGDWCKDFZFGF-UHFFFAOYSA-N
MW506.22 g/mol
LogP7.03
Rot. Bonds5

About 4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide

4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide (PubChem CID 59363153) has the molecular formula C23H16Cl4N4O and a molecular weight of 506.22 g/mol. Its IUPAC name is 4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide.

Molecular Properties

Compound Name4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide
PubChem CID59363153
Molecular FormulaC23H16Cl4N4O
Molecular Weight506.22 g/mol
Exact Mass504.01
IUPAC Name4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)n1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C23H16Cl4N4O/c24-15-6-8-17(19(26)12-15)21-22(18-9-7-16(25)13-20(18)27)30-31(29-21)23(32)28-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,28,32)
InChIKeyATLGDWCKDFZFGF-UHFFFAOYSA-N
XLogP7.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.22
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)propanamide
CID 46618263
N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
CID 4651997
1-butyl-5-(2,4-dichlorophenyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 23587798
2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-(1-phenylethyl)acetamide
CID 59363128
2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 59363230
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963909
8-chloro-1-methyl-N-(2-phenylethyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000419
(1R)-1-(2,4-dichlorophenyl)-N-(2-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 8670295
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide
CID 3996832
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 2470553

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide?
The IUPAC name of 4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide (CID 59363153) is 4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide.
What is the SMILES notation for 4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide?
The canonical SMILES for 4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide is O=C(NCCc1ccccc1)n1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide?
The InChIKey is ATLGDWCKDFZFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl4N4O/c24-15-6-8-17(19(26)12-15)21-22(18-9-7-16(25)13-20(18)27)30-31(29-21)23(32)28-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,28,32).
What are the key properties of 4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide?
4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide has a molecular weight of 506.22 g/mol, XLogP of 7.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide is sourced from PubChem (CID 59363153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).