2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide

C11H8F3N3O2 — CID 84582600

IUPAC2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide
SMILESO=C(NCc1cc(=O)[nH][nH]1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H8F3N3O2/c12-7-2-1-6(9(13)10(7)14)11(19)15-4-5-3-8(18)17-16-5/h1-3H,4H2,(H,15,19)(H2,16,17,18)
InChIKeyBEFGYDVDTARYSY-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.05
Rot. Bonds3

About 2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide

2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide (PubChem CID 84582600) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide
PubChem CID84582600
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide
SMILESO=C(NCc1cc(=O)[nH][nH]1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H8F3N3O2/c12-7-2-1-6(9(13)10(7)14)11(19)15-4-5-3-8(18)17-16-5/h1-3H,4H2,(H,15,19)(H2,16,17,18)
InChIKeyBEFGYDVDTARYSY-UHFFFAOYSA-N
XLogP1.05
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75503771
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
N-[[4-(chloromethyl)phenyl]methyl]-2,3,4-trifluorobenzamide
CID 107233561
2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 79755129
N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
CID 110672522
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
3-[[(2,3,4-trifluorobenzoyl)amino]methyl]benzoic acid
CID 84761710
N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide
CID 110785475
N,2,3,4-tetrafluorobenzamide
CID 91055455
2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666512
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927
2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
CID 91723454

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide (CID 84582600) is 2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide is O=C(NCc1cc(=O)[nH][nH]1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide?
The InChIKey is BEFGYDVDTARYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-7-2-1-6(9(13)10(7)14)11(19)15-4-5-3-8(18)17-16-5/h1-3H,4H2,(H,15,19)(H2,16,17,18).
What are the key properties of 2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide?
2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide has a molecular weight of 271.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 84582600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).