N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide

C16H20ClN5O2 — CID 112529458

IUPACN-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)NCCc2ccccc2Cl)nn1
InChIInChI=1S/C16H20ClN5O2/c1-11(2)16(24)19-14-9-22(21-20-14)10-15(23)18-8-7-12-5-3-4-6-13(12)17/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyLOXRZQYSDYCSNZ-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.88
Rot. Bonds7

About N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide

N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide (PubChem CID 112529458) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
PubChem CID112529458
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC NameN-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)NCCc2ccccc2Cl)nn1
InChIInChI=1S/C16H20ClN5O2/c1-11(2)16(24)19-14-9-22(21-20-14)10-15(23)18-8-7-12-5-3-4-6-13(12)17/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyLOXRZQYSDYCSNZ-UHFFFAOYSA-N
XLogP1.88
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112525344
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383
2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112520071
N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112529265
ethyl N-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112522549
N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521311
2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522212
2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112528878
N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112529386
N-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521514
methyl N-[1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112529072

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide (CID 112529458) is N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide is CC(C)C(=O)Nc1cn(CC(=O)NCCc2ccccc2Cl)nn1.
What is the InChIKey of N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The InChIKey is LOXRZQYSDYCSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-11(2)16(24)19-14-9-22(21-20-14)10-15(23)18-8-7-12-5-3-4-6-13(12)17/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,23)(H,19,24).
What are the key properties of N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide has a molecular weight of 349.82 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 112529458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).