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

C10H6Cl4N4O — CID 9420853

IUPACN-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1nc(Cl)nc1Cl)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H6Cl4N4O/c11-5-1-6(12)3-7(2-5)15-8(19)4-18-10(14)16-9(13)17-18/h1-3H,4H2,(H,15,19)
InChIKeyAGPZAKSUWHYLCR-UHFFFAOYSA-N
MW340.00 g/mol
LogP3.53
Rot. Bonds3

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

N-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide (PubChem CID 9420853) has the molecular formula C10H6Cl4N4O and a molecular weight of 340.00 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide
PubChem CID9420853
Molecular FormulaC10H6Cl4N4O
Molecular Weight340.00 g/mol
Exact Mass337.93
IUPAC NameN-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1nc(Cl)nc1Cl)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H6Cl4N4O/c11-5-1-6(12)3-7(2-5)15-8(19)4-18-10(14)16-9(13)17-18/h1-3H,4H2,(H,15,19)
InChIKeyAGPZAKSUWHYLCR-UHFFFAOYSA-N
XLogP3.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.00
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 9420775
2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9420730
N-(3,5-dichlorophenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide
CID 9420133
2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide
CID 9420821
N-(3,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688645
N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 126213434
N-(3,5-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052684
3-bromo-N-(3,5-dichlorophenyl)propanamide
CID 112698581
3-chloro-5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 81369984
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
N-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26591497
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide (CID 9420853) is N-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide is O=C(Cn1nc(Cl)nc1Cl)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide?
The InChIKey is AGPZAKSUWHYLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl4N4O/c11-5-1-6(12)3-7(2-5)15-8(19)4-18-10(14)16-9(13)17-18/h1-3H,4H2,(H,15,19).
What are the key properties of N-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide?
N-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide has a molecular weight of 340.00 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 9420853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).