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

C10H6Cl2F2N4O — CID 9420821

IUPAC2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cn1nc(Cl)nc1Cl)Nc1ccc(F)cc1F
InChIInChI=1S/C10H6Cl2F2N4O/c11-9-16-10(12)18(17-9)4-8(19)15-7-2-1-5(13)3-6(7)14/h1-3H,4H2,(H,15,19)
InChIKeyQFCGBRGSBDWNDG-UHFFFAOYSA-N
MW307.09 g/mol
LogP2.50
Rot. Bonds3

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

2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide (PubChem CID 9420821) has the molecular formula C10H6Cl2F2N4O and a molecular weight of 307.09 g/mol. Its IUPAC name is 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide
PubChem CID9420821
Molecular FormulaC10H6Cl2F2N4O
Molecular Weight307.09 g/mol
Exact Mass305.99
IUPAC Name2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cn1nc(Cl)nc1Cl)Nc1ccc(F)cc1F
InChIInChI=1S/C10H6Cl2F2N4O/c11-9-16-10(12)18(17-9)4-8(19)15-7-2-1-5(13)3-6(7)14/h1-3H,4H2,(H,15,19)
InChIKeyQFCGBRGSBDWNDG-UHFFFAOYSA-N
XLogP2.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 52.50
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-fluoro-4-methylphenyl)acetamide
CID 9420730
N-(2,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688890
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969
dimethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
CID 20852202
N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide
CID 3648870
1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,4-difluorophenyl)-5-methyltriazole-4-carboxamide
CID 53335365
2-[(4-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)acetamide
CID 4555124
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
N-(2,4-difluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 9209393
diethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
CID 20852224
N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide
CID 108941329
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide
CID 113201414

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide (CID 9420821) is 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide is O=C(Cn1nc(Cl)nc1Cl)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is QFCGBRGSBDWNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F2N4O/c11-9-16-10(12)18(17-9)4-8(19)15-7-2-1-5(13)3-6(7)14/h1-3H,4H2,(H,15,19).
What are the key properties of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide?
2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 307.09 g/mol, XLogP of 2.50, 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-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 9420821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).