N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide

C13H16ClN5O — CID 66192540

IUPACN-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
SMILESCCNCc1cn(CC(=O)Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C13H16ClN5O/c1-2-15-7-12-8-19(18-17-12)9-13(20)16-11-5-3-10(14)4-6-11/h3-6,8,15H,2,7,9H2,1H3,(H,16,20)
InChIKeyDJZQAFVWMGHICO-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.68
Rot. Bonds6

About N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide

N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide (PubChem CID 66192540) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
PubChem CID66192540
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
SMILESCCNCc1cn(CC(=O)Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C13H16ClN5O/c1-2-15-7-12-8-19(18-17-12)9-13(20)16-11-5-3-10(14)4-6-11/h3-6,8,15H,2,7,9H2,1H3,(H,16,20)
InChIKeyDJZQAFVWMGHICO-UHFFFAOYSA-N
XLogP1.68
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66194085
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
2-[4-(1-aminopropyl)triazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106227465
methyl N-[1-[2-(4-chloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521038
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66193488
N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194141
2-[4-(2-aminoethyl)triazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 116642022
N-(4-chlorophenyl)-2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]acetamide
CID 162675638
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 66193511
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461336
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 66194493
N-(1,3-benzodioxol-5-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214852

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide (CID 66192540) is N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide is CCNCc1cn(CC(=O)Nc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide?
The InChIKey is DJZQAFVWMGHICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-2-15-7-12-8-19(18-17-12)9-13(20)16-11-5-3-10(14)4-6-11/h3-6,8,15H,2,7,9H2,1H3,(H,16,20).
What are the key properties of N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide has a molecular weight of 293.76 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 66192540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).