2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C16H14ClN5O2 — CID 47057837

IUPAC2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESO=C(COCc1ccccc1Cl)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C16H14ClN5O2/c17-12-6-2-1-5-11(12)9-24-10-14(23)19-16-20-15(21-22-16)13-7-3-4-8-18-13/h1-8H,9-10H2,(H2,19,20,21,22,23)
InChIKeyWAINNFOJJWLNKS-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.68
Rot. Bonds6

About 2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 47057837) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID47057837
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESO=C(COCc1ccccc1Cl)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C16H14ClN5O2/c17-12-6-2-1-5-11(12)9-24-10-14(23)19-16-20-15(21-22-16)13-7-3-4-8-18-13/h1-8H,9-10H2,(H2,19,20,21,22,23)
InChIKeyWAINNFOJJWLNKS-UHFFFAOYSA-N
XLogP2.68
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 51087375
N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide
CID 86992038
2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
CID 154748583
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-yl)propanamide
CID 51092030
4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 47057842
2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992034
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 47037766
3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 55844424
4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992065
3-(oxolan-2-ylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 87018859
(2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 94139491

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 47057837) is 2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is O=C(COCc1ccccc1Cl)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is WAINNFOJJWLNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c17-12-6-2-1-5-11(12)9-24-10-14(23)19-16-20-15(21-22-16)13-7-3-4-8-18-13/h1-8H,9-10H2,(H2,19,20,21,22,23).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 343.77 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 47057837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).