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

C10H8Cl2N4O — CID 648976

IUPAC2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide
SMILESO=C(Cn1nc(Cl)nc1Cl)Nc1ccccc1
InChIInChI=1S/C10H8Cl2N4O/c11-9-14-10(12)16(15-9)6-8(17)13-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,17)
InChIKeyDSENEJPDFNKQJA-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.22
Rot. Bonds3

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

2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide (PubChem CID 648976) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide
PubChem CID648976
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide
SMILESO=C(Cn1nc(Cl)nc1Cl)Nc1ccccc1
InChIInChI=1S/C10H8Cl2N4O/c11-9-14-10(12)16(15-9)6-8(17)13-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,17)
InChIKeyDSENEJPDFNKQJA-UHFFFAOYSA-N
XLogP2.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-3-(1H-tetrazol-1-yl)propanamide
CID 1511455
N-[4-(4H-1,2,4-triazol-4-yl)phenyl]acetamide
CID 4086562
2-(3-nitro-1,2,4-triazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 52280991
1-[4-(4-fluorophenyl)piperazino]-2-(1H-1,2,4-triazol-1-yl)-1-ethanone
CID 4304418
N-(4-aminophenyl)-2-(1H-1,2,4-triazol-1-yl)propanamide
CID 16788251
4-(1-Phenyltetrazol-5-yl)piperazin-2-one
CID 2540535
N-(2,4-difluorophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 749670
N-(4-fluorophenyl)-2-(5-methyl-1H-tetraazol-1-yl)acetamide
CID 685547
N-(4-fluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 5306456
Cambridge id 6816388
CID 829145
N-(4-fluorophenyl)-3-(1H-1,2,4-triazol-1-yl)butanamide
CID 15943641
N-(4-fluorophenyl)-2-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 16004408

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide (CID 648976) is 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide is O=C(Cn1nc(Cl)nc1Cl)Nc1ccccc1.
What is the InChIKey of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide?
The InChIKey is DSENEJPDFNKQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c11-9-14-10(12)16(15-9)6-8(17)13-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,17).
What are the key properties of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide?
2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide has a molecular weight of 271.11 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 648976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).