N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide

C14H18ClN5O — CID 66194085

IUPACN-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
SMILESCCNCc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)nn1
InChIInChI=1S/C14H18ClN5O/c1-3-16-7-12-8-20(19-18-12)9-14(21)17-11-5-4-10(2)13(15)6-11/h4-6,8,16H,3,7,9H2,1-2H3,(H,17,21)
InChIKeyJBKUZFLPMAAOLY-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.99
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide (PubChem CID 66194085) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
PubChem CID66194085
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
SMILESCCNCc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)nn1
InChIInChI=1S/C14H18ClN5O/c1-3-16-7-12-8-20(19-18-12)9-14(21)17-11-5-4-10(2)13(15)6-11/h4-6,8,16H,3,7,9H2,1-2H3,(H,17,21)
InChIKeyJBKUZFLPMAAOLY-UHFFFAOYSA-N
XLogP1.99
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide 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-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192540
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66193488
N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999138
2-[4-(aminomethyl)triazol-1-yl]-N-(4-bromo-3-methylphenyl)acetamide
CID 62054484
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 116642136
N-(1,3-benzodioxol-5-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214852
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727118
N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194141
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 66193511
2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112521508
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66193137

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide (CID 66194085) is N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide is CCNCc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)nn1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide?
The InChIKey is JBKUZFLPMAAOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-3-16-7-12-8-20(19-18-12)9-14(21)17-11-5-4-10(2)13(15)6-11/h4-6,8,16H,3,7,9H2,1-2H3,(H,17,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide has a molecular weight of 307.79 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 66194085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).