2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide

C11H10Cl2N4O — CID 78928059

IUPAC2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1nc(NC(=O)Cc2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C11H10Cl2N4O/c1-6-14-11(17-16-6)15-10(18)5-7-2-3-8(12)9(13)4-7/h2-4H,5H2,1H3,(H2,14,15,16,17,18)
InChIKeyMVPLAXIDUVKITK-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.60
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide

2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 78928059) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID78928059
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1nc(NC(=O)Cc2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C11H10Cl2N4O/c1-6-14-11(17-16-6)15-10(18)5-7-2-3-8(12)9(13)4-7/h2-4H,5H2,1H3,(H2,14,15,16,17,18)
InChIKeyMVPLAXIDUVKITK-UHFFFAOYSA-N
XLogP2.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(4-chlorobenzyl)-4H-1,2,4-triazol-3-yl]propanamide
CID 53015131
N-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 53015135
5-(3,4-Dichlorobenzyl)-2-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 137003956
2-(3,4-dichlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246819
3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 9246914
3-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 33505247
2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579229
2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579686
2-(2,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579695
2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579735
3-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 36580565
2-(2-chloro-6-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 43021044

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (CID 78928059) is 2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is Cc1nc(NC(=O)Cc2ccc(Cl)c(Cl)c2)n[nH]1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is MVPLAXIDUVKITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-6-14-11(17-16-6)15-10(18)5-7-2-3-8(12)9(13)4-7/h2-4H,5H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 285.13 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 78928059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).