N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide

C17H14Cl2N4O — CID 47059896

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)Nc1ncn(Cc2ccccc2)n1
InChIInChI=1S/C17H14Cl2N4O/c18-14-7-4-8-15(19)13(14)9-16(24)21-17-20-11-23(22-17)10-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,22,24)
InChIKeyUDSXUBOOMJLMPX-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.81
Rot. Bonds5

About N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide

N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide (PubChem CID 47059896) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide
PubChem CID47059896
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)Nc1ncn(Cc2ccccc2)n1
InChIInChI=1S/C17H14Cl2N4O/c18-14-7-4-8-15(19)13(14)9-16(24)21-17-20-11-23(22-17)10-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,22,24)
InChIKeyUDSXUBOOMJLMPX-UHFFFAOYSA-N
XLogP3.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-1,2,4-triazol-3-yl)-2,6-difluorobenzamide
CID 4867026
(2S)-N-(1-benzyl-1,2,4-triazol-3-yl)-2-methylbutanamide
CID 94221424
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19520122
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19544124
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-bromo-3-methylpyrazol-1-yl)acetamide
CID 19517285
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19521100
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide
CID 22771869
4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19479386
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490981
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19526223
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 19396536

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide (CID 47059896) is N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide is O=C(Cc1c(Cl)cccc1Cl)Nc1ncn(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is UDSXUBOOMJLMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c18-14-7-4-8-15(19)13(14)9-16(24)21-17-20-11-23(22-17)10-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,22,24).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 361.23 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 47059896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).