N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide

C14H15Cl2N5O2 — CID 112525344

IUPACN-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)Nc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C14H15Cl2N5O2/c1-8(2)14(23)17-11-6-21(20-19-11)7-12(22)18-13-9(15)4-3-5-10(13)16/h3-6,8H,7H2,1-2H3,(H,17,23)(H,18,22)
InChIKeyMIABIDBMLYZWOI-UHFFFAOYSA-N
MW356.21 g/mol
LogP2.82
Rot. Bonds5

About N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide

N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide (PubChem CID 112525344) has the molecular formula C14H15Cl2N5O2 and a molecular weight of 356.21 g/mol. Its IUPAC name is N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
PubChem CID112525344
Molecular FormulaC14H15Cl2N5O2
Molecular Weight356.21 g/mol
Exact Mass355.06
IUPAC NameN-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)Nc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C14H15Cl2N5O2/c1-8(2)14(23)17-11-6-21(20-19-11)7-12(22)18-13-9(15)4-3-5-10(13)16/h3-6,8H,7H2,1-2H3,(H,17,23)(H,18,22)
InChIKeyMIABIDBMLYZWOI-UHFFFAOYSA-N
XLogP2.82
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112529458
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
ethyl N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525340
N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521311
N-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521514
2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112520071
N-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112520800
2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522212
N-[1-[2-(azepan-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112530504
N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide
CID 81444507
N-(2,6-dichlorophenyl)-2-pyrazol-1-ylacetamide
CID 110690005
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide (CID 112525344) is N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide is CC(C)C(=O)Nc1cn(CC(=O)Nc2c(Cl)cccc2Cl)nn1.
What is the InChIKey of N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The InChIKey is MIABIDBMLYZWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5O2/c1-8(2)14(23)17-11-6-21(20-19-11)7-12(22)18-13-9(15)4-3-5-10(13)16/h3-6,8H,7H2,1-2H3,(H,17,23)(H,18,22).
What are the key properties of N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide has a molecular weight of 356.21 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 112525344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).