N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide

C19H17Cl2N5O2 — CID 41476856

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C19H17Cl2N5O2/c1-25(10-17(27)24-18-15(20)3-2-4-16(18)21)19(28)14-7-5-13(6-8-14)9-26-12-22-11-23-26/h2-8,11-12H,9-10H2,1H3,(H,24,27)
InChIKeyRPKLATGOSNBRNA-UHFFFAOYSA-N
MW418.28 g/mol
LogP3.34
Rot. Bonds6

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 41476856) has the molecular formula C19H17Cl2N5O2 and a molecular weight of 418.28 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID41476856
Molecular FormulaC19H17Cl2N5O2
Molecular Weight418.28 g/mol
Exact Mass417.08
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C19H17Cl2N5O2/c1-25(10-17(27)24-18-15(20)3-2-4-16(18)21)19(28)14-7-5-13(6-8-14)9-26-12-22-11-23-26/h2-8,11-12H,9-10H2,1H3,(H,24,27)
InChIKeyRPKLATGOSNBRNA-UHFFFAOYSA-N
XLogP3.34
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide with MolForge

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Related Compounds

N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 38768902
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 27807625
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 40605982
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038168
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
CID 9431771
2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide
CID 55659343
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 9426700
3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 46472549
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 24688082
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 9089493

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 41476856) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is RPKLATGOSNBRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O2/c1-25(10-17(27)24-18-15(20)3-2-4-16(18)21)19(28)14-7-5-13(6-8-14)9-26-12-22-11-23-26/h2-8,11-12H,9-10H2,1H3,(H,24,27).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 418.28 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 41476856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).