N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide

C19H18Cl2N4O — CID 56528756

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(-c2ccccc2)n(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H18Cl2N4O/c1-13-22-19(15-6-4-3-5-7-15)25(23-13)12-18(26)24(2)11-14-8-9-16(20)17(21)10-14/h3-10H,11-12H2,1-2H3
InChIKeySZUVJYMUCYRHFV-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.22
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide (PubChem CID 56528756) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
PubChem CID56528756
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(-c2ccccc2)n(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H18Cl2N4O/c1-13-22-19(15-6-4-3-5-7-15)25(23-13)12-18(26)24(2)11-14-8-9-16(20)17(21)10-14/h3-10H,11-12H2,1-2H3
InChIKeySZUVJYMUCYRHFV-UHFFFAOYSA-N
XLogP4.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide (CID 56528756) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide is Cc1nc(-c2ccccc2)n(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is SZUVJYMUCYRHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c1-13-22-19(15-6-4-3-5-7-15)25(23-13)12-18(26)24(2)11-14-8-9-16(20)17(21)10-14/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 389.29 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 56528756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).