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

C16H13F2N5O — CID 53168769

IUPACN-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccn2)n[nH]1)NCc1ccc(F)cc1F
InChIInChI=1S/C16H13F2N5O/c17-11-5-4-10(12(18)7-11)9-20-15(24)8-14-21-16(23-22-14)13-3-1-2-6-19-13/h1-7H,8-9H2,(H,20,24)(H,21,22,23)
InChIKeyILQUKOHQRKAKBL-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.00
Rot. Bonds5

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

N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 53168769) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID53168769
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccn2)n[nH]1)NCc1ccc(F)cc1F
InChIInChI=1S/C16H13F2N5O/c17-11-5-4-10(12(18)7-11)9-20-15(24)8-14-21-16(23-22-14)13-3-1-2-6-19-13/h1-7H,8-9H2,(H,20,24)(H,21,22,23)
InChIKeyILQUKOHQRKAKBL-UHFFFAOYSA-N
XLogP2.00
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide with MolForge

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Related Compounds

N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 39850688
N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168756
N-(2-fluorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168730
N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168735
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055
6-fluoro-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 167983534
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide
CID 77083716
[2-[(2,4-difluorophenyl)methylamino]-2-oxoethyl] 3-fluorobenzoate
CID 46860456
N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide
CID 87769035
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 53168769) is N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1nc(-c2ccccn2)n[nH]1)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is ILQUKOHQRKAKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c17-11-5-4-10(12(18)7-11)9-20-15(24)8-14-21-16(23-22-14)13-3-1-2-6-19-13/h1-7H,8-9H2,(H,20,24)(H,21,22,23).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 329.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 53168769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).