2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide

C15H9F3N4O — CID 136512861

IUPAC2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H9F3N4O/c16-11-5-4-10(12(17)13(11)18)15(23)21-9-3-1-2-8(6-9)14-19-7-20-22-14/h1-7H,(H,21,23)(H,19,20,22)
InChIKeyPDZNUBTXQMNIGG-UHFFFAOYSA-N
MW318.26 g/mol
LogP3.14
Rot. Bonds3

About 2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide

2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (PubChem CID 136512861) has the molecular formula C15H9F3N4O and a molecular weight of 318.26 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
PubChem CID136512861
Molecular FormulaC15H9F3N4O
Molecular Weight318.26 g/mol
Exact Mass318.07
IUPAC Name2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H9F3N4O/c16-11-5-4-10(12(17)13(11)18)15(23)21-9-3-1-2-8(6-9)14-19-7-20-22-14/h1-7H,(H,21,23)(H,19,20,22)
InChIKeyPDZNUBTXQMNIGG-UHFFFAOYSA-N
XLogP3.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639
2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525651
5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 136525797
(Z)-3-(4-chlorophenyl)-4,4,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]but-2-enamide
CID 166220560
3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525641
(2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 129381815
2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748572
5-(3-fluorophenyl)-1H-1,2,4-triazole
CID 53264352
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
CID 104624666
5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide
CID 138989510
3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 122137166

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (CID 136512861) is 2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ncn[nH]2)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The InChIKey is PDZNUBTXQMNIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O/c16-11-5-4-10(12(17)13(11)18)15(23)21-9-3-1-2-8(6-9)14-19-7-20-22-14/h1-7H,(H,21,23)(H,19,20,22).
What are the key properties of 2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide has a molecular weight of 318.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 136512861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).