N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide

C18H17ClN4O2 — CID 17410585

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H17ClN4O2/c1-22(10-11-25-17-5-3-2-4-16(17)19)18(24)14-6-8-15(9-7-14)23-13-20-12-21-23/h2-9,12-13H,10-11H2,1H3
InChIKeyYHMACVNBFXENCF-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.07
Rot. Bonds6

About N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide

N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 17410585) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID17410585
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H17ClN4O2/c1-22(10-11-25-17-5-3-2-4-16(17)19)18(24)14-6-8-15(9-7-14)23-13-20-12-21-23/h2-9,12-13H,10-11H2,1H3
InChIKeyYHMACVNBFXENCF-UHFFFAOYSA-N
XLogP3.07
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide 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-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 24514948
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-piperidin-1-ylsulfonylbenzamide
CID 24551180
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 18167229
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559
N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide
CID 131941696
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 62688700
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64524072
5-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 60676187
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 18119348

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide (CID 17410585) is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide is CN(CCOc1ccccc1Cl)C(=O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is YHMACVNBFXENCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-22(10-11-25-17-5-3-2-4-16(17)19)18(24)14-6-8-15(9-7-14)23-13-20-12-21-23/h2-9,12-13H,10-11H2,1H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide?
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 356.81 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 17410585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).