N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide

C13H16ClN5O — CID 62118270

IUPACN-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCc1nncn1C
InChIInChI=1S/C13H16ClN5O/c1-9-3-4-10(14)5-11(9)17-13(20)7-15-6-12-18-16-8-19(12)2/h3-5,8,15H,6-7H2,1-2H3,(H,17,20)
InChIKeyHIWHTNDQLIUSNU-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.51
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide (PubChem CID 62118270) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide
PubChem CID62118270
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCc1nncn1C
InChIInChI=1S/C13H16ClN5O/c1-9-3-4-10(14)5-11(9)17-13(20)7-15-6-12-18-16-8-19(12)2/h3-5,8,15H,6-7H2,1-2H3,(H,17,20)
InChIKeyHIWHTNDQLIUSNU-UHFFFAOYSA-N
XLogP1.51
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(5-chloro-2-methylphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]acetamide
CID 63302325
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
CID 113268604
4-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]benzoic acid
CID 62118709
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)amino]acetamide
CID 65106525
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
CID 106174844
N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46625154
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide
CID 79352093
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 115745425

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide (CID 62118270) is N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNCc1nncn1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide?
The InChIKey is HIWHTNDQLIUSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-9-3-4-10(14)5-11(9)17-13(20)7-15-6-12-18-16-8-19(12)2/h3-5,8,15H,6-7H2,1-2H3,(H,17,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide has a molecular weight of 293.76 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide is sourced from PubChem (CID 62118270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).