2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide

C17H14Cl2N4O2 — CID 48675543

IUPAC2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCn1cnnc1CNC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N4O2/c1-23-10-21-22-16(23)9-20-17(24)12-4-2-3-5-14(12)25-15-7-6-11(18)8-13(15)19/h2-8,10H,9H2,1H3,(H,20,24)
InChIKeyVZXQUTXTFGIUIQ-UHFFFAOYSA-N
MW377.23 g/mol
LogP3.84
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide

2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 48675543) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID48675543
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCn1cnnc1CNC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N4O2/c1-23-10-21-22-16(23)9-20-17(24)12-4-2-3-5-14(12)25-15-7-6-11(18)8-13(15)19/h2-8,10H,9H2,1H3,(H,20,24)
InChIKeyVZXQUTXTFGIUIQ-UHFFFAOYSA-N
XLogP3.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 66484515
2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 62181122
2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 106993375
2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 115931067
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 79777537
2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 104916778
2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 103893192
1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide
CID 49376762
2-amino-5-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 107074730
2-(2,4-dichlorophenoxy)-N-[(3,5-dichlorophenyl)carbamoyl]benzamide
CID 2805241
6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717543

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 48675543) is 2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is Cn1cnnc1CNC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is VZXQUTXTFGIUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c1-23-10-21-22-16(23)9-20-17(24)12-4-2-3-5-14(12)25-15-7-6-11(18)8-13(15)19/h2-8,10H,9H2,1H3,(H,20,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 377.23 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 48675543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).