N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide

C15H7ClF4N4O — CID 24983026

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C15H7ClF4N4O/c16-7-1-2-11(24-6-21-5-22-24)10(3-7)23-15(25)8-4-9(17)13(19)14(20)12(8)18/h1-6H,(H,23,25)
InChIKeyOURSBARFPQCPAG-UHFFFAOYSA-N
MW370.69 g/mol
LogP3.73
Rot. Bonds3

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide (PubChem CID 24983026) has the molecular formula C15H7ClF4N4O and a molecular weight of 370.69 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide
PubChem CID24983026
Molecular FormulaC15H7ClF4N4O
Molecular Weight370.69 g/mol
Exact Mass370.02
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C15H7ClF4N4O/c16-7-1-2-11(24-6-21-5-22-24)10(3-7)23-15(25)8-4-9(17)13(19)14(20)12(8)18/h1-6H,(H,23,25)
InChIKeyOURSBARFPQCPAG-UHFFFAOYSA-N
XLogP3.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.69
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834473
N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 8025189
N-(4-chlorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
CID 1473795
4-chloro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 2330456
N-(3-chlorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
CID 3818974
2-chloro-4-fluoro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24399068
N-(5-chloro-2-fluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24980967
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135715117
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 9267240
1-[5-Chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(2-fluorophenyl)urea
CID 9535399
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-2-nitrobenzamide
CID 17427318
N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide
CID 779648

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide (CID 24983026) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide?
The InChIKey is OURSBARFPQCPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF4N4O/c16-7-1-2-11(24-6-21-5-22-24)10(3-7)23-15(25)8-4-9(17)13(19)14(20)12(8)18/h1-6H,(H,23,25).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide has a molecular weight of 370.69 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 24983026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).