2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide

C19H18Cl3N5O — CID 46823144

IUPAC2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl3N5O/c1-12(13-3-5-15(6-4-13)27-11-23-10-24-27)26(2)9-18(28)25-19-16(21)7-14(20)8-17(19)22/h3-8,10-12H,9H2,1-2H3,(H,25,28)
InChIKeySQZSAURLDQLKOE-UHFFFAOYSA-N
MW438.75 g/mol
LogP4.86
Rot. Bonds6

About 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide

2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 46823144) has the molecular formula C19H18Cl3N5O and a molecular weight of 438.75 g/mol. Its IUPAC name is 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID46823144
Molecular FormulaC19H18Cl3N5O
Molecular Weight438.75 g/mol
Exact Mass437.06
IUPAC Name2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl3N5O/c1-12(13-3-5-15(6-4-13)27-11-23-10-24-27)26(2)9-18(28)25-19-16(21)7-14(20)8-17(19)22/h3-8,10-12H,9H2,1-2H3,(H,25,28)
InChIKeySQZSAURLDQLKOE-UHFFFAOYSA-N
XLogP4.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.75
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 27651283
N-[2,6-di(propan-2-yl)phenyl]-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 46823193
2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 78807265
1-(azetidin-1-yl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone
CID 56812053
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 55469447
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 98619331
2-(2-chlorophenyl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9471057
4-[2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetyl]piperazin-2-one
CID 47014069
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 87014156
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 24507098
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 78818390
2-[acetyl(methyl)amino]-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 94092125

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide (CID 46823144) is 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide is CC(c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is SQZSAURLDQLKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N5O/c1-12(13-3-5-15(6-4-13)27-11-23-10-24-27)26(2)9-18(28)25-19-16(21)7-14(20)8-17(19)22/h3-8,10-12H,9H2,1-2H3,(H,25,28).
What are the key properties of 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide?
2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 438.75 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 46823144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).